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Compound Detail

CHEMBL3701266

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C=CC(=O)N1CC(N2C=C(C#Cc3cc(OC)cc(OC)c3)C3C(N)=NC=NC32)C1

Basic Information

ChEMBL ID CHEMBL3701266
Phase Preclinical
Structure Type MOL
InChI Key CXJITJGGCTWHEG-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

405.5
MW (Da)
0.99
ALogP
7
HBA
1
HBD
92.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N5O3
MW 405.46
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness -0.14

Activity Summary

IC50 3 meas. best 10.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 10.0 10.0 0.1 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 8.92 8.92 1.2 1
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 8.77 8.77 1.7 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine