Gobichelin A

Details

• Internal ID: 5f26de5d-5b63-4ae4-99b3-544ea384a767
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides
• IUPAC Name: (4S)-N-[(2S)-1-[[(2R)-6-amino-1-[[(2S)-3-hydroxy-1-[[(3S)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
• InChI: InChI=1S/C30H41N9O9/c31-10-4-3-7-19(25(42)37-22(14-40)27(44)35-20-8-5-11-39(47)30(20)46)34-26(43)21(12-17-13-32-16-33-17)36-28(45)23-15-48-29(38-23)18-6-1-2-9-24(18)41/h1-2,6,9,13,16,19-23,40-41,47H,3-5,7-8,10-12,14-15,31H2,(H,32,33)(H,34,43)(H,35,44)(H,36,45)(H,37,42)/t19-,20+,21+,22+,23+/m1/s1
• InChI Key: LRVQAPVXSPHVLF-QCBQRGATSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₀H₄₁N₉O₉
• Molecular Weight: 671.70 g/mol
• Exact Mass: 671.30272392 g/mol
• Topological Polar Surface Area (TPSA): 274.00 Ų
• XlogP: -1.50

Synonyms

There are no found synonyms.

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
CHEMBL2581	P07339	Cathepsin D	99.00%	98.95%
CHEMBL3038469	P24941	CDK2/Cyclin A	98.73%	91.38%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	98.56%	98.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.33%	96.09%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	96.37%	82.69%
CHEMBL3137262	O60341	LSD1/CoREST complex	95.43%	97.09%
CHEMBL2693	Q9UIQ6	Cystinyl aminopeptidase	95.22%	97.64%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	94.60%	93.10%
CHEMBL2094135	Q96BI3	Gamma-secretase	93.29%	98.05%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.84%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.41%	95.56%
CHEMBL3359	P21462	Formyl peptide receptor 1	91.78%	93.56%
CHEMBL4296	Q15858	Sodium channel protein type IX alpha subunit	91.67%	96.11%
CHEMBL5103	Q969S8	Histone deacetylase 10	91.44%	90.08%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	91.34%	93.03%
CHEMBL1255126	O15151	Protein Mdm4	90.86%	90.20%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	90.41%	99.23%
CHEMBL259	P32245	Melanocortin receptor 4	90.15%	95.38%
CHEMBL3837	P07711	Cathepsin L	90.11%	96.61%
CHEMBL4101	P17612	cAMP-dependent protein kinase alpha-catalytic subunit	89.90%	82.86%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.78%	99.17%
CHEMBL2514	O95665	Neurotensin receptor 2	88.54%	100.00%
CHEMBL4296013	Q5VWK5	Interleukin-23 receptor	88.43%	88.00%
CHEMBL3310	Q96DB2	Histone deacetylase 11	88.39%	88.56%
CHEMBL5608	Q16288	NT-3 growth factor receptor	87.65%	95.89%
CHEMBL3384	Q16512	Protein kinase N1	87.33%	80.71%
CHEMBL5028	O14672	ADAM10	86.89%	97.50%
CHEMBL1907605	P24864	Cyclin-dependent kinase 2/cyclin E1	86.56%	92.88%
CHEMBL5805	Q9NR97	Toll-like receptor 8	86.52%	96.25%
CHEMBL4227	P25090	Lipoxin A4 receptor	86.31%	100.00%
CHEMBL2492	P36544	Neuronal acetylcholine receptor protein alpha-7 subunit	86.18%	88.42%
CHEMBL4979	P13866	Sodium/glucose cotransporter 1	85.28%	98.24%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	84.79%	90.71%
CHEMBL4588	P22894	Matrix metalloproteinase 8	83.33%	94.66%
CHEMBL5043	Q6P179	Endoplasmic reticulum aminopeptidase 2	81.98%	91.81%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	81.30%	97.23%
CHEMBL3746	P80365	11-beta-hydroxysteroid dehydrogenase 2	81.19%	94.78%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	81.07%	93.40%
CHEMBL3392948	Q9NP59	Solute carrier family 40 member 1	80.60%	95.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	80.42%	85.14%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 136877275
• LOTUS: LTS0219438
• wikiData: Q77519638