[D-Leu1,Ser7]MC-HtyR

Details

• Internal ID: 241efc1d-9fee-4035-99e9-d5aa800ab3c6
• Taxonomy: Organic acids and derivatives > Peptidomimetics > Hybrid peptides
• IUPAC Name: (2S,5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-2-(hydroxymethyl)-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-12,19-dimethyl-5-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
• InChI: InChI=1S/C55H80N10O14/c1-30(2)26-42-51(73)62-40(22-18-35-16-19-37(67)20-17-35)50(72)65-46(54(77)78)34(6)48(70)61-39(14-11-25-58-55(56)57)49(71)60-38(21-15-31(3)27-32(4)44(79-7)28-36-12-9-8-10-13-36)33(5)47(69)63-41(53(75)76)23-24-45(68)59-43(29-66)52(74)64-42/h8-10,12-13,15-17,19-21,27,30,32-34,38-44,46,66-67H,11,14,18,22-26,28-29H2,1-7H3,(H,59,68)(H,60,71)(H,61,70)(H,62,73)(H,63,69)(H,64,74)(H,65,72)(H,75,76)(H,77,78)(H4,56,57,58)/b21-15+,31-27+/t32-,33-,34-,38-,39-,40-,41+,42+,43-,44-,46+/m0/s1
• InChI Key: LPFSGSMIIHIZHU-HRPRKDRMSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅₅H₈₀N₁₀O₁₄
• Molecular Weight: 1105.30 g/mol
• Exact Mass: 1104.58554726 g/mol
• Topological Polar Surface Area (TPSA): 392.00 Ų
• XlogP: 3.00

Synonyms

• [D-Leu1,L-Ser7]MC-HtyR
• DTXSID101046488

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4040	P28482	MAP kinase ERK2	99.86%	83.82%
CHEMBL2581	P07339	Cathepsin D	99.83%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	99.30%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.68%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	97.52%	94.45%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	96.91%	91.71%
CHEMBL3060	Q9Y345	Glycine transporter 2	96.37%	99.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	96.16%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	95.56%	86.33%
CHEMBL3137262	O60341	LSD1/CoREST complex	94.40%	97.09%
CHEMBL3837	P07711	Cathepsin L	92.48%	96.61%
CHEMBL5608	Q16288	NT-3 growth factor receptor	92.36%	95.89%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	91.58%	95.89%
CHEMBL1255126	O15151	Protein Mdm4	89.37%	90.20%
CHEMBL2693	Q9UIQ6	Cystinyl aminopeptidase	89.12%	97.64%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	89.07%	90.71%
CHEMBL4072	P07858	Cathepsin B	88.98%	93.67%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	88.34%	100.00%
CHEMBL2535	P11166	Glucose transporter	87.67%	98.75%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	86.92%	97.23%
CHEMBL1937	Q92769	Histone deacetylase 2	85.51%	94.75%
CHEMBL5103	Q969S8	Histone deacetylase 10	84.69%	90.08%
CHEMBL233	P35372	Mu opioid receptor	84.18%	97.93%
CHEMBL2093869	P05106	Integrin alpha-IIb/beta-3	83.98%	95.42%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	82.83%	95.50%
CHEMBL340	P08684	Cytochrome P450 3A4	82.18%	91.19%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	81.46%	93.00%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	80.74%	97.14%
CHEMBL2514	O95665	Neurotensin receptor 2	80.06%	100.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 146683808
• LOTUS: LTS0187634
• wikiData: Q105155145