Details of the Drug

General Information of Drug (ID: DMOV2ZD)

• Drug Name: C188-9
• Synonyms: QDCJDYWGYVPBDO-UHFFFAOYSA-N; UNII-KZ3DLD11RQ; KZ3DLD11RQ; AC1LQFBK; MLS006011646; SCHEMBL16394007; CHEMBL3392776; MolPort-000-644-242; N-(1B; ZINC1154831; AKOS001673470; MCULE-7568979350; NCGC00262829-02; SMR004703404; EU-0081697; AB00117290-01; C-188-9; N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide; N-[4-hydroxy-3-(2-hydroxy-1-naphthyl)-1-naphthyl]-4-methoxy-1-benzenesulfonamide; Benzenesulfonamide, N-(1',2-dihydroxy(1,2'-binaphthalen)-4'-yl)-4-methoxy-; 432001-19-9

Indication

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

• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 471.5
  Logarithm of the Partition Coefficient (xlogp); 5.8
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C27H21NO5S
  IUPAC Name: N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide
  Canonical SMILES: COC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)C4=C(C=CC5=CC=CC=C54)O
  InChI: InChI=1S/C27H21NO5S/c1-33-18-11-13-19(14-12-18)34(31,32)28-24-16-23(27(30)22-9-5-4-8-21(22)24)26-20-7-3-2-6-17(20)10-15-25(26)29/h2-16,28-30H,1H3
  InChIKey: QDCJDYWGYVPBDO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 1324494
  CAS Number: 432001-19-9
  TTD ID: D09CLC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
STAT3 messenger RNA (STAT3 mRNA)	TTHJT3X	STAT3_HUMAN	Inhibitor	[1]

References

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