Details of the Drug

General Information of Drug (ID: DM9HLXD)

Drug Name

Methyl 7-tert-butyl-9H-carbazole-3-carboxylate

Synonyms

CHEMBL1173167; methyl 7-tert-butyl-9H-carbazole-3-carboxylate; BDBM50322578; ZINC53299021; 7-tert-Butyl-9H-carbazole-3-carboxylic acid methyl ester

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

281.3

Logarithm of the Partition Coefficient (xlogp)

4.9

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C18H19NO2
IUPAC Name: methyl 7-tert-butyl-9H-carbazole-3-carboxylate
Canonical SMILES: CC(C)(C)C1=CC2=C(C=C1)C3=C(N2)C=CC(=C3)C(=O)OC
InChI: InChI=1S/C18H19NO2/c1-18(2,3)12-6-7-13-14-9-11(17(20)21-4)5-8-15(14)19-16(13)10-12/h5-10,19H,1-4H3
InChIKey: UIUMIPOASYICHI-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]

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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.