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Compound Detail

CHEMBL3948698

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COc1cc(OCCO)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl

Basic Information

ChEMBL ID CHEMBL3948698
Phase Preclinical
Structure Type MOL
InChI Key MHJHIWOUBFMLDH-UHFFFAOYSA-N
Parent Compound CHEMBL3924872
Active Moiety CHEMBL3924872
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

445.5
MW (Da)
3.96
ALogP
8
HBA
1
HBD
85.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28ClN5O3
MW 481.98
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.21

Activity Summary

IC50 2 meas. best 7.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 7.43 7.43 37.1 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.77 6.77 169.8 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine