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Chemical structure of VA012

GB40402

VA012

Also known as N-[(1-benzylindol-3-yl)methyl]pyridin-3-amine

VA012 is a positive allosteric modulator of the serotonin 5-HT2C receptor with an EC50 value of 16 nM· VA012 exhibits enhanced efficacy dose-dependently, no significant off-target activities, and low competition with the endogenous agonist or other orthosteric ligands

ChemicalCAS885898-58-8MW313.4FormulaC21H19N3
CAS number
885898-58-8
Molecular weight
313.4
Formula
C21H19N3
InChIKey
FXRHZHGEENHPFI-UHFFFAOYSA-N
Catalogue number
GB40402
Brand
GLPBIO
Computed properties PubChem CID 1497577 · XLogP 4 · TPSA 29.9 Ų · H-bond donors 1
XLogP
4
TPSA
29.9 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
24

SMILES C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)CNC4=CN=CC=C4

Computed descriptors from PubChem (CID 1497577), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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