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Compound Detail

CHEMBL3981418

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Cl.[2H]C([2H])([2H])Oc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1

Basic Information

ChEMBL ID CHEMBL3981418
Phase Preclinical
Structure Type MOL
InChI Key LROUZHGAXKBMPL-FJCVKDQNSA-N
Parent Compound CHEMBL3990373
Active Moiety CHEMBL3990373
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

432.5
MW (Da)
4.17
ALogP
7
HBA
2
HBD
88.2
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 C24H29ClN6O2
MW 472.01
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.10

Activity Summary

IC50 8 meas. best 8.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 8.91 7.975 1.2 2
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 8.55 8.55 2.8 1
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 8.52 7.92 3.0 2
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 8.22 8.22 6.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.26 6.535 55.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine