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Compound Detail

CHEMBL3927327

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COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CCCN5CCOCC5)c4)nc3c2)c1.Cl

Basic Information

ChEMBL ID CHEMBL3927327
Phase Preclinical
Structure Type MOL
InChI Key PZJWQXFQJHDXPN-UHFFFAOYSA-N
Parent Compound CHEMBL3990444
Active Moiety CHEMBL3990444
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

528.7
MW (Da)
4.78
ALogP
9
HBA
0
HBD
77.8
PSA (Ų)
0.28
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H37ClN6O3
MW 565.12
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -1.49

Activity Summary

IC50 7 meas. best 8.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 8.95 7.67 1.1 2
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 8.53 7.14 3.0 2
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 8.14 8.14 7.2 1
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 7.64 7.64 22.9 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.68 6.68 208.9 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine