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Compound Detail

CHEMBL5095192

PF-06952229
Phase I
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Phase I
CC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)NC(CO)CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5095192
Name PF-06952229
Phase Phase I
Structure Type MOL
InChI Key IPBLCOKXDQHSQW-UHFFFAOYSA-N

Known Names

Pf 06952229 Pf-06952229 PF06952229
3
Targets
14
Activities
1
Assay Types
5
PK Parameters
11
Publications
3
Known Names

Molecular Properties

458.9
MW (Da)
3.89
ALogP
6
HBA
4
HBD
107.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C23H24ClFN4O3
MW 458.92
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.92

Activity Summary

IC50 14 meas. best 7.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TGF-beta receptor type-1
CHEMBL4439
 IC50 7.62 7.61 24.0 5
Activin receptor type-1B
CHEMBL5310
 IC50 7.25 7.2475 56.7 4
Activin receptor type-1-like
CHEMBL5311
 IC50 5.14 5.14 7290.0 5

Pharmacokinetic Data

Parameter Value Units Species
AUC 7434.5 ng.hr.mL-1 Mus musculus
CL 18.33 mL.min-1.kg-1 Mus musculus
Cmax 7070.0 nM Mus musculus
F 87.0 % Mus musculus
T1/2 2.09 hr Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
TGF-beta receptor type-1 IC50 = 24.0 nM 7.62 Inhibition of human ALK5 autophosphorylation 36089110
TGF-beta receptor type-1 IC50 = 24.7 nM 7.61 In Vitro Kinase Assay Inhibition of ALK1/2/3/4/5/6 Kinases: Compound of the inve... -
TGF-beta receptor type-1 IC50 = 24.7 nM 7.61 In Vitro Kinase Assay: Compound of the invention were screened in an in vitro ki... -
TGF-beta receptor type-1 IC50 = 24.7 nM 7.61 In Vitro Kinase Assay - Inhibition of ALK1/2/3/4/5/6 Kinases: Compound of the in... -
TGF-beta receptor type-1 IC50 = 25.0 nM 7.6 Inhibition of TGFbetaR1 (unknown origin) 38626523
Activin receptor type-1B IC50 = 56.7 nM 7.25 In Vitro Kinase Assay Inhibition of ALK1/2/3/4/5/6 Kinases: Compound of the inve... -
Activin receptor type-1B IC50 = 56.7 nM 7.25 In Vitro Kinase Assay: Compound of the invention were screened in an in vitro ki... -
Activin receptor type-1B IC50 = 56.7 nM 7.25 In Vitro Kinase Assay - Inhibition of ALK1/2/3/4/5/6 Kinases: Compound of the in... -
Activin receptor type-1B IC50 = 57.0 nM 7.24 Inhibition of ALK4 (unknown origin) 36089110
Activin receptor type-1-like IC50 = 7290.0 nM 5.14 Inhibition of ALK1 (unknown origin) 36089110
Activin receptor type-1-like IC50 = 7290.0 nM 5.14 In Vitro Kinase Assay Inhibition of ALK1/2/3/4/5/6 Kinases: Compound of the inve... -
Activin receptor type-1-like IC50 = 7290.0 nM 5.14 In Vitro Kinase Assay: Compound of the invention were screened in an in vitro ki... -
Activin receptor type-1-like IC50 = 7290.0 nM 5.14 In Vitro Kinase Assay - Inhibition of ALK1/2/3/4/5/6 Kinases: Compound of the in... -
Activin receptor type-1-like IC50 = 7290.0 nM 5.14 In Vitro Kinase Assay - Inhibition of ALK1/2/3/4/5/6 Kinases: Compound of the in... -

Literature References

PubMed DOI Target Context # Activities
36089110 10.1016/j.bmcl.2022.128979 ADMET 7
36105341 10.1021/acsmedchemlett.2c00356 CT26 4
36105341 10.1021/acsmedchemlett.2c00356 4T1 3
36089110 10.1016/j.bmcl.2022.128979 TGF-beta receptor type-1 3
36105341 10.1021/acsmedchemlett.2c00356 MC-38 2
36089110 10.1016/j.bmcl.2022.128979 Activin receptor type-1B 2
36089110 10.1016/j.bmcl.2022.128979 Bone morphogenetic protein receptor type-1B 1
36089110 10.1016/j.bmcl.2022.128979 Bone morphogenetic protein receptor type-1A 1
36089110 10.1016/j.bmcl.2022.128979 Activin receptor type-1 1
36089110 10.1016/j.bmcl.2022.128979 Activin receptor type-1-like 1
38626523 10.1016/j.ejmech.2024.116395 TGF-beta receptor type-1 1

Data from ChEMBL 36 via Core Engine