Details of the Drug

General Information of Drug (ID: DMSLMAN)

Drug Name

2-isopropyl-9H-carbazole

Synonyms

2-isopropyl-9H-carbazole; CHEMBL1170460; SCHEMBL10892550

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)

209.29

Logarithm of the Partition Coefficient (xlogp)

4.8

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

0

Chemical Identifiers

Formula: C15H15N
IUPAC Name: 2-propan-2-yl-9H-carbazole
Canonical SMILES: CC(C)C1=CC2=C(C=C1)C3=CC=CC=C3N2
InChI: InChI=1S/C15H15N/c1-10(2)11-7-8-13-12-5-3-4-6-14(12)16-15(13)9-11/h3-10,16H,1-2H3
InChIKey: AMSCTVXMVALTQJ-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.