Drug General Information
Drug ID
D0K0KR
Former ID
DNC004937
Drug Name
AR-129330
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527629]
Structure
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2D MOL

3D MOL

Formula
C25H29BrF3N5O3S
Canonical SMILES
CN(C)C1=NC(=NC2=CC=CC=C21)NCC3CCC(CC3)CNS(=O)(=O)C4=C(C<br />=C(C=C4)Br)OC(F)(F)F.Cl
InChI
1S/C25H29BrF3N5O3S.ClH/c1-34(2)23-19-5-3-4-6-20(19)32-24(33-23)30-14-16-7-9-17(10-8-16)15-31-38(35,36)22-12-11-18(26)13-21(22)37-25(27,28)29;/h3-6,11-13,16-17,31H,7-10,14-15H2,1-2H3,(H,30,32,33);1H
InChIKey
SMEDDEAAKQVMQD-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Melanin-concentrating hormone receptor 1 Target Info Inhibitor [527629]
Alpha-2A adrenergic receptor Target Info Inhibitor [527629]
Neuropeptide Y receptor 5 Target Info Inhibitor [527629]
KEGG Pathway Neuroactive ligand-receptor interactionhsa04022:cGMP-PKG signaling pathway
Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interaction
PANTHER Pathway Alpha adrenergic receptor signaling pathway
Reactome Peptide ligand-binding receptors
G alpha (q) signalling events
G alpha (i) signalling eventsR-HSA-390696:Adrenoceptors
Adrenaline signalling through Alpha-2 adrenergic receptor
Adrenaline,noradrenaline inhibits insulin secretion
G alpha (i) signalling events
G alpha (z) signalling events
Surfactant metabolismR-HSA-375276:Peptide ligand-binding receptors
WikiPathways GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
GPCR ligand binding
GPCR downstream signalingWP58:Monoamine GPCRs
Platelet Aggregation (Plug Formation)
Integration of energy metabolism
GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCR downstream signaling
References
Ref 527629Bioorg Med Chem Lett. 2005 Sep 1;15(17):3853-6.Lead optimization of 4-(dimethylamino)quinazolines, potent and selective antagonists for the melanin-concentrating hormone receptor 1.
Ref 527629Bioorg Med Chem Lett. 2005 Sep 1;15(17):3853-6.Lead optimization of 4-(dimethylamino)quinazolines, potent and selective antagonists for the melanin-concentrating hormone receptor 1.

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