Details of the Drug

General Information of Drug (ID: DMZFULS)

Drug Name
NSC-37173
Synonyms
NSC37173; NSC-37173; CHEMBL221733; 6305-91-5; 4-{[(5-aminonaphthalen-2-yl)sulfonyl]amino}benzoic acid; AC1Q6VU5; AC1L5UQ8; NCIStruc2_001521; NCIStruc1_001028; 4-[(5-aminonaphthalen-2-yl)sulfonylamino]benzoic acid; CTK5B7325; DTXSID10284415; ZINC1669798; NCI37173; BDBM50158388; NCGC00013434; CCG-36845; AKOS030548133; NCGC00013434-02; NCGC00096549-01; NCI60_003431; 4-(1-aminonaphthalene-6-sulfonamido)benzoic acid; 4-(5-aminonaphthalene-2-sulfonamido)benzoic acid; 4-(((5-amino-2-naphthyl)sulfonyl)amino)benzoic acid
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 342.4
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C17H14N2O4S
IUPAC Name
4-[(5-aminonaphthalen-2-yl)sulfonylamino]benzoic acid
Canonical SMILES
C1=CC2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O)C(=C1)N
InChI
InChI=1S/C17H14N2O4S/c18-16-3-1-2-12-10-14(8-9-15(12)16)24(22,23)19-13-6-4-11(5-7-13)17(20)21/h1-10,19H,18H2,(H,20,21)
InChIKey
BAYMNCHSODLCJV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
235593
CAS Number
6305-91-5
TTD ID
D0B3XP

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phosphoribosylaminoimidazolecarboxamide formyltransferase (ATIC) TT9NVXQ PUR9_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Virtual screening of human 5-aminoimidazole-4-carboxamide ribonucleotide transformylase against the NCI diversity set by use of AutoDock to identif... J Med Chem. 2004 Dec 30;47(27):6681-90.