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Compound Detail

CHEMBL3359265

PF-05175157
🧪 Phase II
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🧪 Phase II
Cc1nc2ccc(C(=O)N3CCC4(CC3)CC(=O)c3c(cnn3C(C)C)C4)cc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3359265
Name PF-05175157
Phase Phase II
Structure Type MOL
InChI Key BDXXSFOJPYSYOC-UHFFFAOYSA-N

Known Names

Pf-05175157
6
Targets
12
Activities
2
Assay Types
28
PK Parameters
17
Publications
1
Known Names
2
Indications
1
Mechanisms

Molecular Properties

405.5
MW (Da)
3.70
ALogP
5
HBA
1
HBD
83.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product

Extended Properties

Molecular Formula C23H27N5O2
MW 405.50
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.29

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Acetyl-CoA carboxylase inhibitor INHIBITOR Acetyl-CoA carboxylase ✓ ✓

Indications

Acne Vulgaris Diabetes Mellitus, Type 2

Activity Summary

IC50 7 meas. best 7.63
EC50 5 meas. best 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acetyl-CoA carboxylase 1
CHEMBL2397
 IC50 7.63 7.63 23.5 1
Acetyl-CoA carboxylase 1
CHEMBL3351
 IC50 7.57 7.29 27.0 2
Hepatocyte
CHEMBL613289
 EC50 7.52 7.52 29.9 1
Acetyl-CoA carboxylase 2
CHEMBL4829
 IC50 7.48 7.415 33.0 2
Unchecked
CHEMBL612545
 IC50 7.3 7.3 50.4 1
Rattus norvegicus
CHEMBL376
 EC50 6.92 6.435 119.0 4

Pharmacokinetic Data

Parameter Value Units Species
AUC 7930.0 ng.hr.mL-1 Canis lupus familiaris
AUC 686.0 ng.hr.mL-1 Rattus norvegicus
AUC 825.0 ng.hr.mL-1 Rattus norvegicus
AUC 36400.0 ng.hr.mL-1 Rattus norvegicus
AUC 4990.0 ng.hr.mL-1 Canis lupus familiaris
AUC 8020.0 ng.hr.mL-1 Canis lupus familiaris
AUC 7270.0 ng.hr.mL-1 Macaca mulatta
CL 21.0 mL.min-1.kg-1 Rattus norvegicus
CL 8.0 mL.min-1.kg-1 Canis lupus familiaris
CL 25.0 mL.min-1.kg-1 Rattus norvegicus
CL 3.4 mL.min-1.kg-1 Canis lupus familiaris
CL 2.4 mL.min-1.kg-1 Macaca mulatta
CL 4.9 mL.min-1.kg-1 Homo sapiens
F 40.0 % Rattus norvegicus
F 106.0 % Rattus norvegicus
F 54.0 % Canis lupus familiaris
Fu 0.24 - Rattus norvegicus
Fu 0.34 - Canis lupus familiaris
Fu 0.024 - Macaca mulatta
Fu 0.013 - Homo sapiens
T1/2 2.3 hr Rattus norvegicus
T1/2 4.8 hr Rattus norvegicus
T1/2 2.3 hr Rattus norvegicus
T1/2 5.0 hr Canis lupus familiaris
T1/2 5.7 hr Canis lupus familiaris
T1/2 2.9 hr Macaca mulatta
T1/2 10.0 hr Homo sapiens
Tmax 3.5 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Acetyl-CoA carboxylase 1 IC50 = 23.5 nM 7.63 Inhibition of rat recombinant ACC1 assessed as incorporation of [14C]bicarbonate... 25423286
Acetyl-CoA carboxylase 1 IC50 = 27.0 nM 7.57 Inhibition of human recombinant ACC1 assessed as incorporation of [14C]bicarbona... 25423286
Hepatocyte EC50 = 29.9 nM 7.52 Inhibition of malonyl-CoA formation in Wistar rat hepatocytes after 5 hrs by mas... 25423286
Acetyl-CoA carboxylase 2 IC50 = 33.0 nM 7.48 Inhibition of human recombinant ACC2 assessed as incorporation of [14C]bicarbona... 25423286
Acetyl-CoA carboxylase 2 IC50 = 45.0 nM 7.35 Inhibition of human recombinant ACC2 after 1 hr by transcreener assay 25423286
Unchecked IC50 = 50.4 nM 7.3 Inhibition of rat recombinant ACC2 assessed as incorporation of [14C]bicarbonate... 25423286
Acetyl-CoA carboxylase 1 IC50 = 98.0 nM 7.01 Inhibition of human recombinant ACC1 after 1 hr by transcreener assay 25423286
Rattus norvegicus EC50 = 119.0 nM 6.92 Reduction of respiratory exchange ratio in Sprague-Dawley rat assessed as unboun... 25423286
Rattus norvegicus EC50 = 326.0 nM 6.49 Inhibition of hepatic DNL in po dosed Sprague-Dawley rat assessed as unbound pla... 25423286
Rattus norvegicus EC50 = 540.0 nM 6.27 Inhibition of malonyl-CoA production in Sprague-Dawley rat liver assessed as unb... 25423286
Rattus norvegicus EC50 = 870.0 nM 6.06 Inhibition of malonyl-CoA production in Sprague-Dawley rat quadriceps assessed a... 25423286

Literature References

PubMed DOI Target Context # Activities
25423286 10.1021/jm5016022 Rattus norvegicus 23
25423286 10.1021/jm5016022 Canis familiaris 8
25423286 10.1021/jm5016022 Homo sapiens 6
25423286 10.1021/jm5016022 Acetyl-CoA carboxylase 2 5
25423286 10.1021/jm5016022 NON-PROTEIN TARGET 4
25423286 10.1021/jm5016022 Acetyl-CoA carboxylase 1 4
25423286 10.1021/jm5016022 Rhesus monkey 4
25423286 10.1021/jm5016022 Liver microsome 3
25423286 10.1021/jm5016022 Hepatocyte 3
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
25423286 10.1021/jm5016022 Cytochrome P450 3A5 1
25423286 10.1021/jm5016022 Cytochrome P450 3A4 1
25423286 10.1021/jm5016022 ADMET 1
25423286 10.1021/jm5016022 Unchecked 1
25423286 10.1021/jm5016022 No relevant target 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
25423286 10.1021/jm5016022 Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine