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Compound Detail

CHEMBL3681247

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COCCOc1ccc2[nH]c(C(=O)c3cnn(-c4ccc5[nH]c(C)nc5c4)c3N)cc2c1

Basic Information

ChEMBL ID CHEMBL3681247
Phase Preclinical
Structure Type MOL
InChI Key IGWDLODVRIEGNQ-UHFFFAOYSA-N
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

430.5
MW (Da)
3.38
ALogP
7
HBA
3
HBD
123.8
PSA (Ų)
0.27
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N6O3
MW 430.47
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.67

Activity Summary

IC50 6 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 7.92 7.92 12.0 2
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 7.75 7.75 18.0 2
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 7.35 7.35 45.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine