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Compound Detail

CHEMBL3983996

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COc1cc(OC)cc(N(CCN2CCC(N)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl

Basic Information

ChEMBL ID CHEMBL3983996
Phase Preclinical
Structure Type MOL
InChI Key NWZKUZJBZXCSMZ-UHFFFAOYSA-N
Parent Compound CHEMBL3990769
Active Moiety CHEMBL3990769
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

473.6
MW (Da)
3.22
ALogP
9
HBA
1
HBD
94.6
PSA (Ų)
0.42
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 C26H32ClN7O2
MW 510.04
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.37

Activity Summary

IC50 8 meas. best 8.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 8.85 7.725 1.4 2
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 8.7 8.7 2.0 1
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 8.68 7.8 2.1 2
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 7.99 7.99 10.2 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.72 6.765 19.1 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine