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Compound Detail

CHEMBL5874605

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COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1N1CC2(CCN(C)CC2)OC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5874605
Phase Preclinical
Structure Type MOL
InChI Key PZYWOGPJGHUXFZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

506.4
MW (Da)
5.25
ALogP
7
HBA
1
HBD
79.8
PSA (Ų)
0.48
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22Cl2FN5O3
MW 506.37
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.94

Activity Summary

IC50 1 meas. best 10.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
 IC50 10.15 10.15 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Epidermal growth factor receptor IC50 = 0.07 nM 10.15 Kinase Assay: Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.... -

Data from ChEMBL 36 via Core Engine