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Compound Detail

CHEMBL324547

NETAZEPIDE
🧪 Phase II
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🧪 Phase II
CNc1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL324547
Name NETAZEPIDE
Phase Phase II
Structure Type MOL
InChI Key YDZYKNJZCVIKPP-VWLOTQADSA-N

Known Names

Netazepida Netazepide Sograzepide YF-476 Yf476
5
Targets
11
Activities
3
Assay Types
0
PK Parameters
16
Publications
5
Known Names
5
Indications
1
Mechanisms

Molecular Properties

498.6
MW (Da)
4.07
ALogP
6
HBA
3
HBD
115.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Protein
Chirality Single Enantiomer

Flags

Natural Product
USAN Stem -azepide

Extended Properties

Molecular Formula C28H30N6O3
MW 498.59
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.83

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Cholecystokinin B receptor antagonist ANTAGONIST Gastrin/cholecystokinin type B receptor ✓ ✓

Indications

Barrett Esophagus Carcinoid Tumor Zollinger-Ellison Syndrome Dyspepsia Esophagitis, Peptic

Activity Summary

Ki 7 meas. best 10.1
IC50 2 meas. best 10.0
Kd 2 meas. best 10.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Gastrin/cholecystokinin type B receptor
CHEMBL298
 Ki 10.1 9.94 0.1 3
Gastrin/cholecystokinin type B receptor
CHEMBL3508
 Kd 10.1 10.1 0.1 2
Gastrin/cholecystokinin type B receptor
CHEMBL3508
 IC50 10.0 10.0 0.1 1
Cholecystokinin receptor type A
CHEMBL1901
 Ki 7.54 7.52 28.8 3
Cholecystokinin receptor type A
CHEMBL3501
 Ki 6.4 6.4 398.1 1
Cholecystokinin receptor type A
CHEMBL2871
 IC50 6.3 6.3 502.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Gastrin/cholecystokinin type B receptor Kd = 0.07943 nM 10.1 Affinity for CCK2 receptor assessed by inhibition of pentagastrin-stimulated aci... 16570921
Gastrin/cholecystokinin type B receptor Kd = 0.07943 nM 10.1 Antagonist activity at CCK2 receptor in perfused rat stomach assessed as inhibit... 17536796
Gastrin/cholecystokinin type B receptor Ki = 0.07943 nM 10.1 Binding affinity at human CCK2 receptor 18289857
Gastrin/cholecystokinin type B receptor IC50 = 0.1 nM 10.0 Inhibitory concentration against radioligand [125I]CCK-8 binding to gastrin/Chol... 9022799
Gastrin/cholecystokinin type B receptor Ki = 0.138 nM 9.86 Displacement of [125I]BH-CCK-8S from human recombinant CCK2 receptor expressed i... 16570921
Gastrin/cholecystokinin type B receptor Ki = 0.138 nM 9.86 Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in ... 17536796
Cholecystokinin receptor type A Ki = 28.84 nM 7.54 Displacement of [3H]L-364718 from human recombinant CCK1 receptor expressed in C... 17536796
Cholecystokinin receptor type A Ki = 30.2 nM 7.52 Displacement of [3H]L-364718 from human recombinant CCK1 receptor expressed in P... 16570921
Cholecystokinin receptor type A Ki = 31.62 nM 7.5 Binding affinity to human CCK1 receptor 18289857
Cholecystokinin receptor type A Ki = 398.11 nM 6.4 Displacement of [125I]BH-CCK-8S from CC1 receptor expressed in guinea pig pancre... 18201065
Cholecystokinin receptor type A IC50 = 502.0 nM 6.3 Inhibitory concentration against radioligand [3 H]L-364,718 binding to gastrin/C... 9022799

Literature References

PubMed DOI Target Context # Activities
9022799 10.1021/jm960669+ Canis familiaris 4
17536796 10.1021/jm070139l Gastrin/cholecystokinin type B receptor 4
9022799 10.1021/jm960669+ Rattus norvegicus 2
16570921 10.1021/jm051219x Gastrin/cholecystokinin type B receptor 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
9022799 10.1021/jm960669+ Gastrin/cholecystokinin type B receptor 1
9022799 10.1021/jm960669+ Cholecystokinin receptor type A 1
9022799 10.1021/jm960669+ Cholecystokinin receptor 1
16570921 10.1021/jm051219x Cholecystokinin receptor type A 1
17536796 10.1021/jm070139l Cholecystokinin receptor type A 1
18201065 10.1021/jm070880t Gastrin/cholecystokinin type B receptor 1
18201065 10.1021/jm070880t Cholecystokinin receptor type A 1
18289857 10.1016/j.bmc.2007.12.047 Gastrin/cholecystokinin type B receptor 1
18289857 10.1016/j.bmc.2007.12.047 Cholecystokinin receptor type A 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
- 10.6019/EOS300108 HepG2 1

Data from ChEMBL 36 via Core Engine