Details of the Drug

General Information of Drug (ID: DMFGCS1)

Drug Name

2-(4-benzyl-piperidin-1-ylmethyl)-1H-indol-6-ol

Synonyms

CHEMBL220775; 2-(4-benzyl-piperidin-1-ylmethyl)-1H-indol-6-ol

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

320.4

Logarithm of the Partition Coefficient (xlogp)

4.3

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C21H24N2O
IUPAC Name: 2-[(4-benzylpiperidin-1-yl)methyl]-1H-indol-6-ol
Canonical SMILES: C1CN(CCC1CC2=CC=CC=C2)CC3=CC4=C(N3)C=C(C=C4)O
InChI: InChI=1S/C21H24N2O/c24-20-7-6-18-13-19(22-21(18)14-20)15-23-10-8-17(9-11-23)12-16-4-2-1-3-5-16/h1-7,13-14,17,22,24H,8-12,15H2
InChIKey: XCBFDMFJYYJHAL-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glutamate receptor ionotropic NMDA 2B (NMDAR2B)	TTN9D8E	NMDE2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Selective NR1/2B N-methyl-D-aspartate receptor antagonists among indole-2-carboxamides and benzimidazole-2-carboxamides. J Med Chem. 2007 Mar 8;50(5):901-14.