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]
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
ChEBI ID
CHEMBL301605
TTD ID
D0P2DB
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
Molecular Interaction Atlas (MIA) 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.