Details of the Drug

General Information of Drug (ID: DMTZ943)

Drug Name

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

Synonyms

5,12-Dihydroindolo[3,2-a]carbazole; 111296-91-4; 5,12-dihydroindolo[3,2-c]carbazole; Indolo[3,2-]arbazole, 5,12-ihydro-; Indolo[3,2-a]carbazole, 5,12-dihydro-; 5H,12H-Indolo[3,2-a]carbazole; AC1NFSZ0; SCHEMBL224017; CHEMBL53230; DTXSID80405771; QQWXDAWSMPLECU-UHFFFAOYSA-N; MolPort-027-835-190; ZINC13490703; 2059AA; AKOS016009131; 5,12-dihydro-indolo[3,2-a]carbazole; Indolo[3,2-a]carbazole,5,12-dihydro-; SC-48298; AJ-63955; AX8227529

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): 1

Molecular Weight (mw)

256.3

Logarithm of the Partition Coefficient (xlogp)

5.2

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

0

Chemical Identifiers

Formula: C18H12N2
IUPAC Name: 5,12-dihydroindolo[3,2-c]carbazole
Canonical SMILES: C1=CC=C2C(=C1)C3=C(N2)C4=C(C=C3)NC5=CC=CC=C54
InChI: InChI=1S/C18H12N2/c1-3-7-14-11(5-1)12-9-10-16-17(18(12)20-14)13-6-2-4-8-15(13)19-16/h1-10,19-20H
InChIKey: QQWXDAWSMPLECU-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 4713445
CAS Number: 111296-91-4
TTD ID: D05LXP

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)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Synthesis of novel 3-substituted beta-carbolines as benzodiazepine receptor ligands: probing the benzodiazepine receptor pharmacophore. J Med Chem. 1988 Sep;31(9):1854-61.