Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D09MON
|
|||
| Former ID |
DIB011328
|
|||
| Drug Name |
A-75998
|
|||
| Synonyms |
CHEMBL263839
Click to Show/Hide
|
|||
| Indication | Hormone deficiency [ICD-11: 5A61.1] | Discontinued in Phase 1 | [1] | |
| Company |
Abbott Laboratories
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C80H104ClN15O14
|
|||
| Canonical SMILES |
CC(C)CC(C(=O)NC(CCCC(C(C)C)N)C(=O)N1CCCC1C(=O)NC(C)C(=O)N)NC(=O)C(CCCC(C(=O)C2=CC=NC=C2)N)NC(=O)C(CC3=CC=C(C=C3)O)N(C)C(=O)C(CO)NC(=O)C(CC4=CN=CC=C4)NC(=O)C(CC5=CC=C(C=C5)Cl)NC(=O)C(CC6=CC7=CC=CC=C7C=C6)NC(=O)C
|
|||
| InChI |
1S/C80H104ClN15O14/c1-46(2)38-63(73(103)90-62(20-10-17-59(82)47(3)4)80(110)96-37-13-21-68(96)77(107)87-48(5)71(84)101)91-72(102)61(19-11-18-60(83)70(100)55-32-35-85-36-33-55)89-78(108)69(43-51-25-30-58(99)31-26-51)95(7)79(109)67(45-97)94-76(106)66(42-53-14-12-34-86-44-53)93-75(105)65(40-50-23-28-57(81)29-24-50)92-74(104)64(88-49(6)98)41-52-22-27-54-15-8-9-16-56(54)39-52/h8-9,12,14-16,22-36,39,44,46-48,59-69,97,99H,10-11,13,17-21,37-38,40-43,45,82-83H2,1-7H3,(H2,84,101)(H,87,107)(H,88,98)(H,89,108)(H,90,103)(H,91,102)(H,92,104)(H,93,105)(H,94,106)/t48-,59?,60?,61-,62-,63-,64-,65-,66-,67-,68+,69-/m0/s1
|
|||
| InChIKey |
WGWPBHBZVYAVTQ-HQDLIPOVSA-N
|
|||
| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Gonadotropin-releasing hormone receptor (GNRHR) | Target Info | Antagonist | [2] |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| GnRH signaling pathway | ||||
| NetPath Pathway | IL1 Signaling Pathway | |||
| IL2 Signaling Pathway | ||||
| Panther Pathway | Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway | |||
| Reactome | Hormone ligand-binding receptors | |||
| G alpha (q) signalling events | ||||
| WikiPathways | Gastrin-CREB signalling pathway via PKC and MAPK | |||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| GPCRs, Other | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800003694) | |||
| REF 2 | Physicochemical properties of A-75998, an antagonist of luteinizing hormone releasing hormone. J Pharm Sci. 1995 Aug;84(8):953-8. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.