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Compound Detail

CHEMBL7352

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COc1ccc(Nc2cc3c(cc2Nc2ccc(OC)cc2)C(=O)NC3=O)cc1

Basic Information

ChEMBL ID CHEMBL7352
Phase Preclinical
Structure Type MOL
InChI Key SNNZHOLVTLIFSO-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

389.4
MW (Da)
4.07
ALogP
6
HBA
3
HBD
88.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19N3O4
MW 389.41
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.36

Activity Summary

IC50 2 meas. best 4.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.73 4.73 18500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 18500.0 nM 4.73 Inhibition of BALB/MK mouse epidermal keratinocyte proliferation 8151612

Literature References

PubMed DOI Target Context # Activities
8151612 10.1021/jm00033a019 Epidermal growth factor receptor 2
8151612 10.1021/jm00033a019 Tyrosine-protein kinase ABL 1
8151612 10.1021/jm00033a019 Protein kinase C (PKC) 1
8151612 10.1021/jm00033a019 cAMP-dependent protein kinase alpha-catalytic subunit 1
8151612 10.1021/jm00033a019 Platelet-derived growth factor receptor 1
8151612 10.1021/jm00033a019 Unchecked 1

Data from ChEMBL 36 via Core Engine