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Compound Detail

CHEMBL229430

AMG-517
Phase I
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Phase I
CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cccc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL229430
Name AMG-517
Phase Phase I
Structure Type MOL
InChI Key YUTIXVXZQIQWGY-UHFFFAOYSA-N

Known Names

Amg-517
2
Targets
23
Activities
1
Assay Types
30
PK Parameters
20
Publications
1
Known Names
1
Mechanisms

Molecular Properties

430.4
MW (Da)
5.52
ALogP
6
HBA
1
HBD
77.0
PSA (Ų)
0.46
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C20H13F3N4O2S
MW 430.41
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.95

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Vanilloid receptor antagonist ANTAGONIST Transient receptor potential cation channel subfamily V member 1 ✓ ✓

Activity Summary

IC50 23 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 1
CHEMBL5102
 IC50 9.3 9.1542 0.5 12
Transient receptor potential cation channel subfamily V member 1
CHEMBL4794
 IC50 9.22 8.7145 0.6 11

Pharmacokinetic Data

Parameter Value Units Species
AUC 5400.0 ng.hr.mL-1 Rattus norvegicus
AUC 8800.0 ng.hr.mL-1 Rattus norvegicus
AUC 7400.0 ng.hr.mL-1 Canis lupus familiaris
AUC 37000.0 ng.hr.mL-1 Macaca mulatta
AUC 5400.0 ng.hr.mL-1 Rattus norvegicus
AUC 12500.0 ng.hr.mL-1 Rattus norvegicus
AUC 5300.0 ng.hr.mL-1 Rattus norvegicus
AUC 5400.0 ng.hr.mL-1 Rattus norvegicus
CL 5.0 mL.min-1.g-1 Homo sapiens
CL 50.0 mL.min-1.g-1 Rattus norvegicus
CL 4.167 mL.min-1.kg-1 Rattus norvegicus
CL 3.167 mL.min-1.kg-1 Rattus norvegicus
CL 2.0 mL.min-1.kg-1 Rattus norvegicus
CL 2.333 mL.min-1.kg-1 Canis lupus familiaris
CL 0.5 mL.min-1.kg-1 Macaca mulatta
CL 3.167 mL.min-1.kg-1 Rattus norvegicus
CL 3.167 mL.min-1.kg-1 Rattus norvegicus
CL 3.167 mL.min-1.kg-1 Rattus norvegicus
F 32.0 % Rattus norvegicus
F 51.0 % Rattus norvegicus
F 23.0 % Canis lupus familiaris
F 52.0 % Macaca mulatta
F 32.0 % Rattus norvegicus
F 32.0 % Rattus norvegicus
F 32.0 % Rattus norvegicus
T1/2 6.3 hr Rattus norvegicus
T1/2 31.0 hr Rattus norvegicus
T1/2 41.0 hr Canis lupus familiaris
T1/2 62.0 hr Macaca mulatta
T1/2 6.3 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Transient receptor potential cation channel subfamily V member 1 IC50 = 0.5 nM 9.3 Inhibition of rat TRPV1 expressed in CHO cells assessed as acid-induced Ca2+ inf... 17585751
Transient receptor potential cation channel subfamily V member 1 IC50 = 0.5 nM 9.3 Antagonist activity at rat TRPV1 expressed in CHO cells assessed inhibition of a... 17937985
Transient receptor potential cation channel subfamily V member 1 IC50 = 0.5 nM 9.3 Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition o... 18386885
Transient receptor potential cation channel subfamily V member 1 IC50 = 0.5 nM 9.3 Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition o... 18722118
Transient receptor potential cation channel subfamily V member 1 IC50 = 0.5 nM 9.3 Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition o... 17585750
Transient receptor potential cation channel subfamily V member 1 IC50 = 0.6 nM 9.22 Antagonist activity at human TRPV1 assessed as inhibition of low pH-induced calc... 18386885
Transient receptor potential cation channel subfamily V member 1 IC50 = 0.62 nM 9.21 Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition... 17585750
Transient receptor potential cation channel subfamily V member 1 IC50 = 0.76 nM 9.12 Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition... 17585750
Transient receptor potential cation channel subfamily V member 1 IC50 = 0.76 nM 9.12 Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition... 18299195
Transient receptor potential cation channel subfamily V member 1 IC50 = 0.8 nM 9.1 Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced c... 18386885
Transient receptor potential cation channel subfamily V member 1 IC50 = 0.9 nM 9.05 Inhibition of rat TRPV1 expressed in CHO cells assessed as capsaicin-induced Ca2... 17585751
Transient receptor potential cation channel subfamily V member 1 IC50 = 0.9 nM 9.05 Antagonist activity at rat TRPV1 34591488
Transient receptor potential cation channel subfamily V member 1 IC50 = 0.9 nM 9.05 Antagonist activity at TRPV1 (unknown origin) 35033884
Transient receptor potential cation channel subfamily V member 1 IC50 = 0.9 nM 9.05 Inhibition of human TRPV1 20307063
Transient receptor potential cation channel subfamily V member 1 IC50 = 0.9 nM 9.05 Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition o... 18722118
Transient receptor potential cation channel subfamily V member 1 IC50 = 0.9 nM 9.05 Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition o... 18386885
Transient receptor potential cation channel subfamily V member 1 IC50 = 0.9 nM 9.05 Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition o... 18299195
Transient receptor potential cation channel subfamily V member 1 IC50 = 0.9 nM 9.05 Antagonist activity at rat TRPV1 expressed in CHO cells assessed inhibition of c... 17937985
Transient receptor potential cation channel subfamily V member 1 IC50 = 0.9 nM 9.05 Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition o... 17585750
Transient receptor potential cation channel subfamily V member 1 IC50 = 1.3 nM 8.89 Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition... 17585750

Literature References

PubMed DOI Target Context # Activities
17585750 10.1021/jm070190p Rattus norvegicus 15
- 10.6019/CHEMBL5303304 U2OS 8
- 10.6019/CHEMBL5303304 HEK-293T 7
- 10.6019/CHEMBL5303304 Fibroblast 6
17585751 10.1021/jm070191h Rattus norvegicus 6
17585750 10.1021/jm070190p Transient receptor potential cation channel subfamily V member 1 5
18722118 10.1016/j.bmcl.2008.07.112 Rattus norvegicus 5
17585750 10.1021/jm070190p Rhesus monkey 5
17585750 10.1021/jm070190p Canis familiaris 5
18299195 10.1016/j.bmcl.2008.02.022 Rattus norvegicus 4
18386885 10.1021/jm7014638 Transient receptor potential cation channel subfamily V member 1 4
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
18722118 10.1016/j.bmcl.2008.07.112 Transient receptor potential cation channel subfamily V member 1 4
17585751 10.1021/jm070191h No relevant target 3
17937985 10.1016/j.bmcl.2007.09.080 No relevant target 3
- 10.6019/CHEMBL3301361 ADMET 3
18299195 10.1016/j.bmcl.2008.02.022 No relevant target 3
17585750 10.1021/jm070190p No relevant target 3
18722118 10.1016/j.bmcl.2008.07.112 No relevant target 3
17585750 10.1021/jm070190p Liver microsomes 2

Data from ChEMBL 36 via Core Engine