Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3786098

PF-06459988
🧪 Phase II
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
🧪 Phase II
C=CC(=O)N1C[C@H](COc2nc(Nc3cnn(C)c3)nc3[nH]cc(Cl)c23)[C@@H](OC)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3786098
Name PF-06459988
Phase Phase II
Structure Type MOL
InChI Key ODMXWZROLKITMS-RISCZKNCSA-N

Known Names

Pf-06459988
2
Targets
13
Activities
2
Assay Types
0
PK Parameters
11
Publications
1
Known Names
1
Indications
1
Mechanisms

Molecular Properties

431.9
MW (Da)
2.13
ALogP
8
HBA
2
HBD
110.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Extended Properties

Molecular Formula C19H22ClN7O3
MW 431.88
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.79

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Epidermal growth factor receptor erbB1 inhibitor INHIBITOR Epidermal growth factor receptor ✓ ✓

Indications

Carcinoma, Non-Small-Cell Lung

Activity Summary

IC50 11 meas. best 8.15
Ki 2 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
 Ki 8.4 7.1 4.0 2
Epidermal growth factor receptor
CHEMBL203
 IC50 8.15 7.109 7.0 10
Receptor tyrosine-protein kinase erbB-3
CHEMBL5838
 IC50 7.68 7.68 21.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Epidermal growth factor receptor Ki = 4.0 nM 8.4 Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed i... 26756222
Epidermal growth factor receptor IC50 = 7.0 nM 8.15 Inhibition of EGFR deletion/T790M mutant autophosphorylation in human PC9-DRH ce... 26756222
Epidermal growth factor receptor IC50 = 7.0 nM 8.15 Inhibition of EGFR T790M/exon 19 deletion mutant phosphorylation in human PC9-DR... 28287730
Epidermal growth factor receptor IC50 = 13.0 nM 7.89 Inhibition of EGFR L858R/T790M double mutant autophosphorylation in human NCI-H1... 26756222
Epidermal growth factor receptor IC50 = 13.0 nM 7.89 Inhibition of EGFR T790M/L858R double mutant phosphorylation in human H1975 cell... 28287730
Epidermal growth factor receptor IC50 = 21.0 nM 7.68 Inhibition of EGFR L858R mutant autophosphorylation in human H3255 cells after 2... 26756222
Receptor tyrosine-protein kinase erbB-3 IC50 = 21.0 nM 7.68 Inhibition of EGFR L858R mutant phosphorylation in human H3255 cells preincubate... 28287730
Epidermal growth factor receptor IC50 = 90.0 nM 7.05 Inhibition of EGFR deletion mutant autophosphorylation in human HCC827 cells aft... 26756222
Epidermal growth factor receptor IC50 = 140.0 nM 6.85 Inhibition of EGFR deletion mutant autophosphorylation in human PC9 cells after ... 26756222
Epidermal growth factor receptor IC50 = 140.0 nM 6.85 Inhibition of EGFR exon 19 deletion mutant phosphorylation in human PC9 cells pr... 28287730
Epidermal growth factor receptor Ki = 1600.0 nM 5.8 Reversible binding affinity to human wild type EGFR expressed in baculovirus by ... 26756222
Epidermal growth factor receptor IC50 = 5100.0 nM 5.29 Inhibition of EGF-stimulated wild type EGFR autophosphorylation expressed in hum... 26756222
Epidermal growth factor receptor IC50 = 5100.0 nM 5.29 Inhibition of EGF-stimulated wild-type EGFR phosphorylation in human A549 cells ... 28287730

Literature References

PubMed DOI Target Context # Activities
26756222 10.1021/acs.jmedchem.5b01633 Epidermal growth factor receptor 12
28287730 10.1021/acs.jmedchem.6b01894 Epidermal growth factor receptor 4
26756222 10.1021/acs.jmedchem.5b01633 ADMET 3
28287730 10.1021/acs.jmedchem.6b01894 Unchecked 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
26756222 10.1021/acs.jmedchem.5b01633 No relevant target 1
26756222 10.1021/acs.jmedchem.5b01633 Unchecked 1
26756222 10.1021/acs.jmedchem.5b01633 NON-PROTEIN TARGET 1
26756222 10.1021/acs.jmedchem.5b01633 NCI-H1975 1
26756222 10.1021/acs.jmedchem.5b01633 Liver microsome 1
28287730 10.1021/acs.jmedchem.6b01894 Receptor tyrosine-protein kinase erbB-3 1

Data from ChEMBL 36 via Core Engine