Details of the Drug

General Information of Drug (ID: DM59TI2)

Drug Name

M9831

Synonyms

2-Methyl-1,3-benzothiazole-5-carboxylic acid; 24851-69-2; 2-Methylbenzo[d]thiazole-5-carboxylic acid; 2-Methyl-benzothiazole-5-carboxylic acid; 2-methyl-1,3-benzothiazole-5-carboxylic acid; 5-Benzothiazolecarboxylic acid, 2-methyl-; 2-methylbenzothiazole-5-carboxylic acid; SMR000015267; MLS000030206; AC1LDLFR; AC1Q2PD7; SCHEMBL1105986; cid_649953; CHEMBL1480093; CTK0J4554; KS-00000IVD; BDBM87603; DTXSID50349491; MolPort-002-499-021; TVUFPZOJUJGDDD-UHFFFAOYSA-N; HMS2396B08; ZINC873707; ZX-CM001754; ZX-AL001070; ANW-56675; AKOS000320290; FCH1781098; CS-W019372; MCULE-8154234969; FS

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Phase 1	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

193.22

Logarithm of the Partition Coefficient (xlogp)

2.3

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C9H7NO2S
IUPAC Name: 2-methyl-1,3-benzothiazole-5-carboxylic acid
Canonical SMILES: CC1=NC2=C(S1)C=CC(=C2)C(=O)O
InChI: InChI=1S/C9H7NO2S/c1-5-10-7-4-6(9(11)12)2-3-8(7)13-5/h2-4H,1H3,(H,11,12)
InChIKey: TVUFPZOJUJGDDD-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 649953
CAS Number: 24851-69-2
TTD ID: D02IKF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
DNA-dependent protein kinase catalytic (PRKDC)	TTK3PY9	PRKDC_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)