Details of the Drug

General Information of Drug (ID: DMD7Q1R)

Drug Name

7-tert-butyl-9H-carbazole-3-carboxylic acid

Synonyms

CHEMBL1171078; 7-tert-butyl-9H-carbazole-3-carboxylic acid

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)

267.32

Logarithm of the Partition Coefficient (xlogp)

4.6

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C17H17NO2
IUPAC Name: 7-tert-butyl-9H-carbazole-3-carboxylic acid
Canonical SMILES: CC(C)(C)C1=CC2=C(C=C1)C3=C(N2)C=CC(=C3)C(=O)O
InChI: InChI=1S/C17H17NO2/c1-17(2,3)11-5-6-12-13-8-10(16(19)20)4-7-14(13)18-15(12)9-11/h4-9,18H,1-3H3,(H,19,20)
InChIKey: DIDFDNKTXWWCAJ-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.