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Compound Detail

CHEMBL114551

GW-274150
🧪 Phase II
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🧪 Phase II
CC(=N)NCCSCC[C@H](N)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL114551
Name GW-274150
Phase Phase II
Structure Type MOL
InChI Key MOLOJNHYNHBPCW-ZETCQYMHSA-N

Known Names

Gw-274150 GW274150
3
Targets
17
Activities
1
Assay Types
0
PK Parameters
20
Publications
2
Known Names
3
Indications
1
Mechanisms

Molecular Properties

219.3
MW (Da)
0.11
ALogP
4
HBA
4
HBD
99.2
PSA (Ų)
0.28
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product

Extended Properties

Molecular Formula C8H17N3O2S
MW 219.31
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 0.42

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Nitric oxide synthase, inducible inhibitor INHIBITOR Nitric oxide synthase, inducible ✓ ✓

Indications

Arthritis, Rheumatoid Migraine Disorders Asthma

Activity Summary

IC50 17 meas. best 7.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nitric oxide synthase, inducible
CHEMBL4481
 IC50 7.16 6.1717 70.0 6
Nitric oxide synthase 1
CHEMBL3568
 IC50 5.08 4.915 8400.0 2
Nitric oxide synthase 3
CHEMBL4803
 IC50 4.47 4.47 34000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nitric oxide synthase, inducible IC50 = 70.0 nM 7.16 In vitro inhibition of human Inducible nitric oxide synthase. 15163211
Nitric oxide synthase, inducible IC50 = 220.0 nM 6.66 Inhibition of human iNOS expressed in human DLD1 cells after 1 hr 18024030
Nitric oxide synthase, inducible IC50 = 1400.0 nM 5.85 Inhibition of human inducible nitric oxide synthase 10741561
Nitric oxide synthase, inducible IC50 = 1400.0 nM 5.85 Inhibition of human recombinant iNOS by microtiter plate assay 21482467
Nitric oxide synthase, inducible IC50 = 1412.54 nM 5.85 Inhibition of human iNOS assessed as inhibition of [3H]L-arginine to [3H]L-citru... 21684157
Nitric oxide synthase, inducible IC50 = 2190.0 nM 5.66 Inhibition of human iNOS expressed in baculovirus infected Spodoptera frugiperda... 36063653
Nitric oxide synthase 1 IC50 = 8400.0 nM 5.08 Inhibition of human nNOS expressed in insect SF9 cells after 1 hr 18024030
Nitric oxide synthase 1 IC50 = 18000.0 nM 4.75 In vitro inhibition of human neuronal nitric oxide synthase. 15163211
Nitric oxide synthase 3 IC50 = 34000.0 nM 4.47 In vitro inhibition of human endothelial nitric oxide synthase. 15163211

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
18024030 10.1016/j.bmcl.2007.10.073 Nitric oxide synthase, inducible 2
18024030 10.1016/j.bmcl.2007.10.073 Unchecked 1
36063653 10.1016/j.bmc.2022.116970 Nitric oxide synthase 3 1
21684157 10.1016/j.bmcl.2011.05.073 Nitric oxide synthase, inducible 1
21482467 10.1016/j.bmcl.2011.03.038 Nitric oxide sythases; iNOS & nNOS 1
21482467 10.1016/j.bmcl.2011.03.038 Unchecked 1
21482467 10.1016/j.bmcl.2011.03.038 Nitric oxide synthase 1 1
21482467 10.1016/j.bmcl.2011.03.038 Nitric oxide synthase 3 1
21482467 10.1016/j.bmcl.2011.03.038 Nitric oxide synthase, inducible 1
18024030 10.1016/j.bmcl.2007.10.073 Nitric oxide synthase 3 1
18024030 10.1016/j.bmcl.2007.10.073 Nitric oxide sythases; iNOS & nNOS 1
15163211 10.1021/jm031035n Nitric oxide synthase, inducible 1
18024030 10.1016/j.bmcl.2007.10.073 Nitric oxide synthase 1 1
10741561 10.1016/s0960-894x(00)00055-x Nitric oxide sythases; iNOS & nNOS 1
10741561 10.1016/s0960-894x(00)00055-x Nitric oxide synthase 1 1
10741561 10.1016/s0960-894x(00)00055-x Nitric oxide synthase (inducible and endothelial) 1
10741561 10.1016/s0960-894x(00)00055-x Nitric oxide synthase 3 1
10741561 10.1016/s0960-894x(00)00055-x Nitric oxide synthase, inducible 1
15163211 10.1021/jm031035n Nitric oxide synthase 1 1

Data from ChEMBL 36 via Core Engine