Glidopeptin

Details

• Internal ID: 7f8e9ff3-3760-4722-bd39-1df01d52d417
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides
• IUPAC Name: (4S)-5-[[(2R)-4-amino-1-[[(2S)-6-amino-1-[[(E)-1-[[(2S)-1-[[(2R)-4-amino-1-[[(2S)-1-[[(E)-1-[[(2S)-4-amino-1-[[2-[(1-carboxy-2-methylprop-1-enyl)amino]-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxobut-2-en-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxobut-2-en-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-[[(2R)-2-(decanoylamino)-3-hydroxypropanoyl]amino]-5-oxopentanoic acid
• InChI: InChI=1S/C60H102N16O19/c1-8-11-12-13-14-15-16-20-46(80)66-43(31-77)58(92)70-38(21-22-48(82)83)54(88)71-39(23-26-62)55(89)69-37(19-17-18-25-61)53(87)67-35(9-2)51(85)73-41(28-33(4)5)57(91)72-40(24-27-63)56(90)75-44(32-78)59(93)68-36(10-3)52(86)74-42(29-45(64)79)50(84)65-30-47(81)76-49(34(6)7)60(94)95/h9-10,33,37-44,77-78H,8,11-32,61-63H2,1-7H3,(H2,64,79)(H,65,84)(H,66,80)(H,67,87)(H,68,93)(H,69,89)(H,70,92)(H,71,88)(H,72,91)(H,73,85)(H,74,86)(H,75,90)(H,76,81)(H,82,83)(H,94,95)/b35-9+,36-10+/t37-,38-,39+,40+,41-,42-,43+,44-/m0/s1
• InChI Key: PIPAEXYOMKOAPI-UGAMGAPBSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₆₀H₁₀₂N₁₆O₁₉
• Molecular Weight: 1351.50 g/mol
• Exact Mass: 1350.75071509 g/mol
• Topological Polar Surface Area (TPSA): 585.00 Ų
• XlogP: -7.10
• Atomic LogP (AlogP): -4.75
• H-Bond Acceptor: 20
• H-Bond Donor: 20
• Rotatable Bonds: 49

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
Human Intestinal Absorption	+	0.7727	77.27%
Caco-2	-	0.8600	86.00%
Blood Brain Barrier	+	0.5250	52.50%
Human oral bioavailability	-	0.7286	72.86%
Subcellular localzation	Mitochondria	0.6334	63.34%
OATP2B1 inhibitior	-	1.0000	100.00%
OATP1B1 inhibitior	+	0.8343	83.43%
OATP1B3 inhibitior	+	0.9249	92.49%
MATE1 inhibitior	-	0.9400	94.00%
OCT2 inhibitior	-	0.9000	90.00%
BSEP inhibitior	+	0.9170	91.70%
P-glycoprotein inhibitior	+	0.7421	74.21%
P-glycoprotein substrate	+	0.8253	82.53%
CYP3A4 substrate	+	0.6915	69.15%
CYP2C9 substrate	+	0.6016	60.16%
CYP2D6 substrate	-	0.8570	85.70%
CYP3A4 inhibition	-	0.8881	88.81%
CYP2C9 inhibition	-	0.8226	82.26%
CYP2C19 inhibition	-	0.8311	83.11%
CYP2D6 inhibition	-	0.8820	88.20%
CYP1A2 inhibition	-	0.8242	82.42%
CYP2C8 inhibition	+	0.6520	65.20%
CYP inhibitory promiscuity	-	0.9382	93.82%
UGT catelyzed	+	0.6000	60.00%
Carcinogenicity (binary)	-	0.8600	86.00%
Carcinogenicity (trinary)	Non-required	0.5703	57.03%
Eye corrosion	-	0.9742	97.42%
Eye irritation	-	0.8958	89.58%
Skin irritation	-	0.8012	80.12%
Skin corrosion	-	0.9393	93.93%
Ames mutagenesis	-	0.8000	80.00%
Human Ether-a-go-go-Related Gene inhibition	+	0.6952	69.52%
Micronuclear	+	0.5500	55.00%
Hepatotoxicity	-	0.5916	59.16%
skin sensitisation	-	0.8420	84.20%
Respiratory toxicity	+	0.7556	75.56%
Reproductive toxicity	-	0.6719	67.19%
Mitochondrial toxicity	-	0.6625	66.25%
Nephrotoxicity	+	0.6095	60.95%
Acute Oral Toxicity (c)	III	0.6755	67.55%
Estrogen receptor binding	+	0.6259	62.59%
Androgen receptor binding	+	0.7139	71.39%
Thyroid receptor binding	+	0.6059	60.59%
Glucocorticoid receptor binding	+	0.7003	70.03%
Aromatase binding	+	0.7355	73.55%
PPAR gamma	+	0.7653	76.53%
Honey bee toxicity	-	0.8274	82.74%
Biodegradation	-	0.9000	90.00%
Crustacea aquatic toxicity	+	0.6448	64.48%
Fish aquatic toxicity	+	0.8775	87.75%

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2581	P07339	Cathepsin D	99.85%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	99.13%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.16%	91.11%
CHEMBL3359	P21462	Formyl peptide receptor 1	98.12%	93.56%
CHEMBL230	P35354	Cyclooxygenase-2	98.04%	89.63%
CHEMBL221	P23219	Cyclooxygenase-1	97.58%	90.17%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	97.57%	97.29%
CHEMBL1255126	O15151	Protein Mdm4	97.19%	90.20%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	96.18%	96.47%
CHEMBL4018	P49146	Neuropeptide Y receptor type 2	95.94%	98.94%
CHEMBL3176	O43603	Galanin receptor 2	95.56%	98.89%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	95.03%	97.21%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.99%	96.09%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	94.71%	100.00%
CHEMBL3267	P48736	PI3-kinase p110-gamma subunit	94.53%	95.71%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	94.20%	97.23%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	94.17%	96.00%
CHEMBL2885	P07451	Carbonic anhydrase III	93.83%	87.45%
CHEMBL2514	O95665	Neurotensin receptor 2	93.63%	100.00%
CHEMBL237	P41145	Kappa opioid receptor	93.55%	98.10%
CHEMBL2973	O75116	Rho-associated protein kinase 2	93.48%	96.73%
CHEMBL236	P41143	Delta opioid receptor	92.95%	99.35%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	92.69%	98.33%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	92.49%	93.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	92.28%	94.45%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	92.26%	92.08%
CHEMBL4040	P28482	MAP kinase ERK2	92.22%	83.82%
CHEMBL2208	P49137	MAP kinase-activated protein kinase 2	92.10%	95.20%
CHEMBL340	P08684	Cytochrome P450 3A4	92.07%	91.19%
CHEMBL2001	Q9H244	Purinergic receptor P2Y12	91.69%	96.00%
CHEMBL3837	P07711	Cathepsin L	91.44%	96.61%
CHEMBL3776	Q14790	Caspase-8	91.27%	97.06%
CHEMBL4227	P25090	Lipoxin A4 receptor	91.15%	100.00%
CHEMBL4816	Q9Y243	Serine/threonine-protein kinase AKT3	90.84%	96.28%
CHEMBL2334	P42574	Caspase-3	90.38%	98.25%
CHEMBL4801	P29466	Caspase-1	89.41%	96.85%
CHEMBL5285	Q99683	Mitogen-activated protein kinase kinase kinase 5	89.39%	92.26%
CHEMBL5163	Q9NY46	Sodium channel protein type III alpha subunit	88.75%	96.90%
CHEMBL5261	Q7L7X3	Serine/threonine-protein kinase TAO1	88.50%	89.33%
CHEMBL2413	P32246	C-C chemokine receptor type 1	88.35%	89.50%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	87.89%	90.71%
CHEMBL5701	Q9H2K8	Serine/threonine-protein kinase TAO3	87.89%	96.67%
CHEMBL2094135	Q96BI3	Gamma-secretase	87.29%	98.05%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	87.20%	96.95%
CHEMBL2072	P35499	Sodium channel protein type IV alpha subunit	86.70%	92.32%
CHEMBL3392948	Q9NP59	Solute carrier family 40 member 1	85.75%	95.00%
CHEMBL4777	P25929	Neuropeptide Y receptor type 1	85.58%	96.67%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	85.39%	92.29%
CHEMBL2069156	Q14145	Kelch-like ECH-associated protein 1	85.07%	82.38%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	84.75%	89.34%
CHEMBL3018	Q9Y5Y6	Matriptase	84.74%	98.33%
CHEMBL4588	P22894	Matrix metalloproteinase 8	84.66%	94.66%
CHEMBL1944495	P28065	Proteasome subunit beta type-9	84.13%	97.50%
CHEMBL3629	P68400	Casein kinase II alpha	83.54%	98.89%
CHEMBL3468	P55210	Caspase-7	83.48%	95.68%
CHEMBL3024	P53350	Serine/threonine-protein kinase PLK1	83.44%	97.43%
CHEMBL3437	Q16853	Amine oxidase, copper containing	83.35%	94.00%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	83.25%	95.89%
CHEMBL1907589	P17787	Neuronal acetylcholine receptor; alpha4/beta2	83.02%	94.55%
CHEMBL4581	P52732	Kinesin-like protein 1	82.59%	93.18%
CHEMBL3004	P33527	Multidrug resistance-associated protein 1	82.32%	96.37%
CHEMBL259	P32245	Melanocortin receptor 4	81.96%	95.38%
CHEMBL5043	Q6P179	Endoplasmic reticulum aminopeptidase 2	81.66%	91.81%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	81.20%	95.50%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	81.03%	94.33%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	80.70%	100.00%
CHEMBL1801	P00747	Plasminogen	80.16%	92.44%
CHEMBL3145	P42338	PI3-kinase p110-beta subunit	80.15%	98.75%
CHEMBL2492	P36544	Neuronal acetylcholine receptor protein alpha-7 subunit	80.13%	88.42%
CHEMBL299	P17252	Protein kinase C alpha	80.09%	98.03%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 146684598
• LOTUS: LTS0051172
• wikiData: Q105209635