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Compound Detail

CHEMBL3975791

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[2H]C([2H])([2H])Oc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1

Basic Information

ChEMBL ID CHEMBL3975791
Phase Preclinical
Structure Type MOL
InChI Key OLAHOMJCDNXHFI-GKOSEXJESA-N
Parent Compound CHEMBL3545376
Active Moiety CHEMBL3545376
5
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

446.6
MW (Da)
4.18
ALogP
8
HBA
1
HBD
77.3
PSA (Ų)
0.41
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 C25H30N6O2
MW 449.57
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.30

Activity Summary

IC50 9 meas. best 9.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 9.04 8.33 0.9 2
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 8.56 7.17 2.8 3
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 8.5 8.5 3.2 1
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 8.36 8.36 4.4 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.33 6.645 46.8 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine