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Compound Detail

CHEMBL3932756

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COc1cc(OC)cc(N(CCN2[C@@H](C)CC[C@@H]2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1

Basic Information

ChEMBL ID CHEMBL3932756
Phase Preclinical
Structure Type MOL
InChI Key MLWCCXUMKLCBTL-PMACEKPBSA-N
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

486.6
MW (Da)
5.06
ALogP
8
HBA
0
HBD
68.5
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H34N6O2
MW 486.62
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.25

Activity Summary

IC50 8 meas. best 8.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 8.43 8.085 3.7 2
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 8.42 8.42 3.8 1
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 8.18 7.96 6.6 2
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 7.75 7.75 17.8 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.28 6.77 52.5 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine