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Compound Detail

CHEMBL7914

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Cc1ccc(Nc2cc3c(cc2Nc2ccc(C)cc2)C(=O)NC3=O)cc1

Basic Information

ChEMBL ID CHEMBL7914
Phase Preclinical
Structure Type MOL
InChI Key KSZXNFIEZNOXCC-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
4.67
ALogP
4
HBA
3
HBD
70.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19N3O2
MW 357.41
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.48

Activity Summary

IC50 3 meas. best 5.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
IC50 5.6 5.475 2500.0 2
Unchecked
CHEMBL612545
IC50 5.03 5.03 9300.0 1

Activity Data Samples

Top measurements by pChEMBL value

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 Proto-oncogene tyrosine-protein kinase Src 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