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]
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
ChEBI ID
CHEMBL1480093
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]
Molecular Interaction Atlas (MIA) 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)