Drug Information

Drug General Information
Drug ID
D0LL9K
Former ID
DNC004931
Drug Name
L-771688
Drug Type
Small molecular drug
Indication Prostate disease [ICD10:N42.9] Discontinued in Phase 2 [547208]
Structure
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2D MOL

3D MOL
Formula
C28H33F2N5O5
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
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
InChIKey
FFXFCSQUTLDLAR-VWLOTQADSA-N
PubChem Compound ID
9874983
Target and Pathway
Target(s) Alpha-1A adrenergic receptor Target Info Inhibitor [527393]
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 547208Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800014018)
Ref 527393Bioorg Med Chem Lett. 2005 Feb 1;15(3):657-64.Pharmacophore identification of alpha(1A)-adrenoceptor antagonists.

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