Details of the Drug

General Information of Drug (ID: DMV1CX0)

Drug Name

2,3,4,11-tetrahydro-1H-benzo[a]carbazole

Synonyms

CHEMBL1173621; Tetrahydrobenzcarbazol; 2,3,4,11-tetrahydro-1H-benzo[a]carbazole; SCHEMBL17775042; BDBM50322598

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)

221.3

Logarithm of the Partition Coefficient (xlogp)

4.8

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

0

Chemical Identifiers

Formula: C16H15N
IUPAC Name: 2,3,4,11-tetrahydro-1H-benzo[a]carbazole
Canonical SMILES: C1CCC2=C(C1)C=CC3=C2NC4=CC=CC=C34
InChI: InChI=1S/C16H15N/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h3-4,7-10,17H,1-2,5-6H2
InChIKey: OOCBASGHISDDOY-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Kinesin spindle messenger RNA (KIF11 mRNA)	TTBGTCW	KIF11_HUMAN	Inhibitor	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Kinesin spindle protein (KSP) inhibitors with 2,3-fused indole scaffolds. J Med Chem. 2010 Jul 8;53(13):5054-8.