Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0RF6M
|
|||
| Former ID |
DIB020364
|
|||
| Drug Name |
ML-18
|
|||
| Synonyms |
ML-18; ML 18; 1422269-30-4; GTPL8505; MolPort-039-338-066; ZINC263621864; AKOS027470221; CS-6869; HY-101844; ML-18,,ML18,ML-18,ML 18,BRS-3 antagonist,1422269-30-4; (2S)-3-(1H-indol-3-yl)-N-{[1-(4-methoxyphenyl)cyclohexyl]methyl}-2-{[(4-nitrophenyl)carbamoyl]amino}propanamide
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C32H35N5O5
|
|||
| Canonical SMILES |
COC1=CC=C(C=C1)C2(CCCCC2)CNC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)NC5=CC=C(C=C5)[N+](=O)[O-]
|
|||
| InChI |
1S/C32H35N5O5/c1-42-26-15-9-23(10-16-26)32(17-5-2-6-18-32)21-34-30(38)29(19-22-20-33-28-8-4-3-7-27(22)28)36-31(39)35-24-11-13-25(14-12-24)37(40)41/h3-4,7-16,20,29,33H,2,5-6,17-19,21H2,1H3,(H,34,38)(H2,35,36,39)/t29-/m0/s1
|
|||
| InChIKey |
JOKVJNCYOSFDGC-LJAQVGFWSA-N
|
|||
| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Bombesin receptor (BS) | Target Info | Antagonist | [1] |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Reactome | Peptide ligand-binding receptors | |||
| G alpha (q) signalling events | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Peptide GPCRs | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | ML-18 is a non-peptide bombesin receptor subtype-3 antagonist which inhibits lung cancer growth. Peptides. 2015 Feb;64:55-61. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.