Details of the Drug

General Information of Drug (ID: DM4DIS3)

Drug Name

Methyl 9H-carbazole-2-carboxylate

Synonyms

Methyl 9H-carbazole-2-carboxylate; 26000-33-9; CHEMBL1172394; C14H11NO2; 9H-CARBAZOLE-2-CARBOXYLIC ACID METHYL ESTER; SCHEMBL2483277; CTK4F6920; DTXSID40461636; WDNZNDZRMLZWNC-UHFFFAOYSA-N; MolPort-005-941-204; ZINC22003793; BDBM50322587; ANW-71443; AKOS015967094; ACM26000339; OR340090; AJ-80205; DS-17387; KB-257852; TC-160188; AX8111765; 9H-Carbazole-2-carboxylicacid, methyl ester; X5228; 9H-Carbazole-2-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)

225.24

Logarithm of the Partition Coefficient (xlogp)

3.7

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C14H11NO2
IUPAC Name: methyl 9H-carbazole-2-carboxylate
Canonical SMILES: COC(=O)C1=CC2=C(C=C1)C3=CC=CC=C3N2
InChI: InChI=1S/C14H11NO2/c1-17-14(16)9-6-7-11-10-4-2-3-5-12(10)15-13(11)8-9/h2-8,15H,1H3
InChIKey: WDNZNDZRMLZWNC-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11299083
CAS Number: 26000-33-9
TTD ID: D05OMR

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)

MIA Detail

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.