Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0LL9K
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| Former ID |
DNC004931
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| Drug Name |
L-771688
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| Drug Type |
Small molecular drug
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| Indication | Prostate disease [ICD10:N42.9] | Discontinued in Phase 2 | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C28H33F2N5O5
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| Canonical SMILES |
COCC1=C(C(N(C(=O)N1)C(=O)NCCCN2CCC(CC2)C3=CC=CC=N3)C4=C<br />C(=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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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Alpha-1A adrenergic receptor | 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 | |||||
| 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 | Bioorg Med Chem Lett. 2005 Feb 1;15(3):657-64.Pharmacophore identification of alpha(1A)-adrenoceptor antagonists. | ||||
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