Details of the Drug

General Information of Drug (ID: DM2J1FA)

Drug Name

BRL-54504AX

Synonyms

CHEMBL87114; BRL-54504AX

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)

279.34

Logarithm of the Partition Coefficient (xlogp)

3.2

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C17H17N3O
IUPAC Name: 11-amino-2,6-dimethyl-3,4-dihydro-2H-indolo[2,3-b]quinolin-1-one
Canonical SMILES: CC1CCC2=C(C1=O)C(=C3C4=CC=CC=C4N(C3=N2)C)N
InChI: InChI=1S/C17H17N3O/c1-9-7-8-11-14(16(9)21)15(18)13-10-5-3-4-6-12(10)20(2)17(13)19-11/h3-6,9H,7-8H2,1-2H3,(H2,18,19)
InChIKey: NWCDOCLEZPSZBM-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Isosteric replacement of the indole nucleus by benzothiophene in a series of pyrido[2,3-b]indoles with potential anxiolytic activity, Bioorg. Med. Chem. Lett. 5(22):2589-2592 (1995).