Details of the Drug

General Information of Drug (ID: DM06TZN)

Drug Name

2-methyl-9H-carbazole

Synonyms

2-METHYLCARBAZOLE; 2-Methyl-9H-carbazole; 9H-Carbazole, 2-methyl-; 3652-91-3; 2-Methyldibenzopyrrole; Carbazole, 2-methyl-; UNII-7MWG08F2MG; 7MWG08F2MG; CHEMBL1173640; PWJYOTPKLOICJK-UHFFFAOYSA-N; 2-methyl carbazole; NSC10153; EINECS 222-894-3; NSC 10153; 2-methyl-9H-carbazol; ACMC-1AHNQ; AC1L2DUH; 2-Methyl-9H-carbazole #; SCHEMBL607346; Carbazole, 2-methyl- (8CI); DTXSID9073963; CTK1C3104; MolPort-006-115-551; ZINC1706058; 9H-Carbazole, 2-methyl- (9CI); FCH838910; NSC-10153; BDBM50322581; AKOS006274371; ACM3652913; KB-25102; OR340083

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)

181.23

Logarithm of the Partition Coefficient (xlogp)

4.1

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

0

Chemical Identifiers

Formula: C13H11N
IUPAC Name: 2-methyl-9H-carbazole
Canonical SMILES: CC1=CC2=C(C=C1)C3=CC=CC=C3N2
InChI: InChI=1S/C13H11N/c1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h2-8,14H,1H3
InChIKey: PWJYOTPKLOICJK-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 19290
CAS Number: 3652-91-3
TTD ID: D0RO7K

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.