Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0LL9K
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| Former ID |
DNC004931
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| Drug Name |
L-771688
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| Synonyms |
L-771688; IW9MH6LGKH; UNII-IW9MH6LGKH; CHEMBL182998; SCHEMBL6735535; HY-U00237; BDBM50160148; CS-7401; 200050-59-5; L 771688; Methyl (4S)-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-3-(3-(4-(2-pyridyl)-1-piperidyl)propylcarbamoyl)-1,4-dihydropyrimidine-5-carboxylate; 5-Pyrimidinecarboxylic acid, 6-(3,4-difluorophenyl)-1,2,3,6-tetrahydro-4-(methoxymethyl)-2-oxo-1-(((3-(4-(2-pyridinyl)-1-piperidinyl)propyl)amino)carbonyl)-, methyl ester, (6S)-
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| Drug Type |
Small molecular drug
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| Indication | Prostate disease [ICD-11: GA91; ICD-10: N42.9] | Discontinued in Phase 2 | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C28H33F2N5O5
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| Canonical SMILES |
COCC1=C(C(N(C(=O)N1)C(=O)NCCCN2CCC(CC2)C3=CC=CC=N3)C4=CC(=C(C=C4)F)F)C(=O)OC
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| InChI |
1S/C28H33F2N5O5/c1-39-17-23-24(26(36)40-2)25(19-7-8-20(29)21(30)16-19)35(28(38)33-23)27(37)32-12-5-13-34-14-9-18(10-15-34)22-6-3-4-11-31-22/h3-4,6-8,11,16,18,25H,5,9-10,12-15,17H2,1-2H3,(H,32,37)(H,33,38)/t25-/m0/s1
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| InChIKey |
FFXFCSQUTLDLAR-VWLOTQADSA-N
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| CAS Number |
CAS 200050-59-5
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Adrenergic receptor alpha-1A (ADRA1A) | Target Info | Inhibitor | [2] |
| KEGG Pathway | Calcium signaling pathway | |||
| cGMP-PKG signaling pathway | ||||
| Neuroactive ligand-receptor interaction | ||||
| AMPK signaling pathway | ||||
| Adrenergic signaling in cardiomyocytes | ||||
| Vascular smooth muscle contraction | ||||
| Salivary secretion | ||||
| Panther Pathway | Alpha adrenergic receptor signaling pathway | |||
| Reactome | Adrenoceptors | |||
| G alpha (q) signalling events | ||||
| G alpha (12/13) signalling events | ||||
| WikiPathways | Monoamine GPCRs | |||
| Calcium Regulation in the Cardiac Cell | ||||
| GPCRs, Class A Rhodopsin-like | ||||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Endothelin Pathways | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| AMPK Signaling | ||||
| 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 800014018) | |||
| REF 2 | Pharmacophore identification of alpha(1A)-adrenoceptor antagonists. Bioorg Med Chem Lett. 2005 Feb 1;15(3):657-64. | |||
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