Details of the Drug

General Information of Drug (ID: DM3FXRC)

Drug Name

7,12-Dihydro-5,7,12-triaza-indeno[1,2-a]fluorene

Synonyms

CHEMBL301605; 7,12-Dihydro-5,7,12-triaza-indeno[1,2-a]fluorene; 7,12-dihydropyrido[3,2-b:5,4-b']diindole; NCI60_006891; AC1L7HBP; AC1Q4YR3; CTK5J6980; ZINC12941871

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)

257.29

Logarithm of the Partition Coefficient (xlogp)

3.9

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C17H11N3
IUPAC Name: 9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
Canonical SMILES: C1=CC=C2C(=C1)C3=C4C(=NC=C3N2)C5=CC=CC=C5N4
InChI: InChI=1S/C17H11N3/c1-3-7-12-10(5-1)15-14(19-12)9-18-16-11-6-2-4-8-13(11)20-17(15)16/h1-9,19-20H
InChIKey: UFTKNTUWDMJOIX-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 360772
TTD ID: D0P2DB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
GABA(A) receptor alpha-1 (GABRA1)	TT1MPAY	GBRA1_HUMAN	Inhibitor	[1]
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Synthesis of 7,12-dihydropyrido[3,4-b:5,4-b']diindoles. A novel class of rigid, planar benzodiazepine receptor ligands. J Med Chem. 1987 Mar;30(3):456-8.