Drug Information

Drug General Information
Drug ID
D0T3YS
Former ID
DNC000444
Drug Name
CL-385004
Drug Type
Small molecular drug
Indication Discovery agent Investigative [535608]
Structure
Download
2D MOL

3D MOL
Formula
C26H21FN4O2
Canonical SMILES
CC1=C(C=C(C=C1)F)C(=O)NC2=NC=C(C=C2)C(=O)N3CC4=CC=CN4CC<br />5=CC=CC=C53
InChI
1S/C26H21FN4O2/c1-17-8-10-20(27)13-22(17)25(32)29-24-11-9-18(14-28-24)26(33)31-16-21-6-4-12-30(21)15-19-5-2-3-7-23(19)31/h2-14H,15-16H2,1H3,(H,28,29,32)
InChIKey
XJZRYHGTQLKUDO-UHFFFAOYSA-N
PubChem Compound ID
9954905
PubChem Substance ID
14930487, 24224406, 46051513, 75688042, 85221790, 103231387, 103971151, 134339867, 172649555, 198940450, 231532736
Target and Pathway
Target(s) Vasopressin V2 receptor Target Info Antagonist [535608]
Vasopressin V1a receptor Target Info Antagonist [535608]
KEGG Pathway Neuroactive ligand-receptor interaction
Vasopressin-regulated water reabsorptionhsa04020:Calcium signaling pathway
Vascular smooth muscle contraction
Pathway Interaction Database Arf6 trafficking events
PathWhiz Pathway Vasopressin Regulation of Water Homeostasis
Reactome Vasopressin-like receptors
G alpha (s) signalling events
Vasopressin regulates renal water homeostasis via AquaporinsR-HSA-388479:Vasopressin-like receptors
G alpha (q) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Regulation of Water Balance by Renal Aquaporins
Peptide GPCRs
GPCR ligand binding
GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
GPCR downstream signaling
References
Ref 535608Nonpeptide vasopressin receptor antagonists: development of selective and orally active V1a, V2 and V1b receptor ligands. Prog Brain Res. 2002;139:197-210.
Ref 535608Nonpeptide vasopressin receptor antagonists: development of selective and orally active V1a, V2 and V1b receptor ligands. Prog Brain Res. 2002;139:197-210.

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