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]
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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
CAS Number: 210354-22-6
DrugBank ID: DB12237
TTD ID: D05QJT

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

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.