Details of the Drug

General Information of Drug (ID: DMZMCB1)

Drug Name
GW274150
Synonyms
GW274150; GW-274150; UNII-0ZZF1V8G63; 0ZZF1V8G63; CHEMBL114551; SCHEMBL120693; L-Homocysteine, S-(2-((1-iminoethyl)amino)ethyl)-; GTPL9849; ZINC2004483; BDBM50086467; AKOS030526714; DB12237; CS-5419; HY-12119; GW-274150;GW 274150; [2-[(1-iminoethyl) amino]ethyl]-L-homocysteine; (S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-butyric acid; (2S)-2-amino-4-[2-(1-aminoethylideneamino)ethylsulfanyl]butanoic acid
Indication
Disease Entry ICD 11 Status REF
Asthma CA23 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 219.31
Logarithm of the Partition Coefficient (xlogp) -3.3
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C8H17N3O2S
IUPAC Name
(2S)-2-amino-4-[2-(1-aminoethylideneamino)ethylsulfanyl]butanoic acid
Canonical SMILES
CC(=NCCSCC[C@@H](C(=O)O)N)N
InChI
InChI=1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
InChIKey
MOLOJNHYNHBPCW-ZETCQYMHSA-N
Cross-matching ID
PubChem CID
9797017
ChEBI ID
CHEMBL114551
CAS Number
210354-22-6
UNII
0ZZF1V8G63
DrugBank ID
DB12237
TTD ID
D05QJT
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Nitric-oxide synthase inducible (NOS2) TTF10I9 NOS2_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Asthma
ICD Disease Classification CA23
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Nitric-oxide synthase inducible (NOS2) DTT NOS2 4.24E-02 -0.27 -0.88
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00370435) Study Of 90mg Of GW274150 In Subjects Over 50 Years, Who Have Rheumatoid Arthritis (RA). U.S. National Institutes of Health.
2 GW274150, a potent and highly selective inhibitor of iNOS, reduces experimental renal ischemia/reperfusion injury. Kidney Int. 2003 Mar;63(3):853-65.