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Compound Detail

CHEMBL3934596

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COc1cc(F)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1

Basic Information

ChEMBL ID CHEMBL3934596
Phase Preclinical
Structure Type MOL
InChI Key CZMWGXOYAYNAFA-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

460.6
MW (Da)
4.80
ALogP
7
HBA
0
HBD
59.3
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29FN6O
MW 460.56
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.78

Activity Summary

IC50 3 meas. best 9.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 9.1 8.9 0.8 2
NON-PROTEIN TARGET
CHEMBL3879801
IC50 6.23 6.23 588.8 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine