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]
Structure
3D MOL 2D MOL
#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
UNII
KZ3DLD11RQ
DrugBank ID
DB17578
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]
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)