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Compound Detail

CHEMBL3701276

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C=CC(=O)N1CCC(n2cc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)CC1

Basic Information

ChEMBL ID CHEMBL3701276
Phase Preclinical
Structure Type MOL
InChI Key FXNCSORTIDLEQF-UHFFFAOYSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

431.5
MW (Da)
2.78
ALogP
7
HBA
1
HBD
95.5
PSA (Ų)
0.50
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 C24H25N5O3
MW 431.50
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.51

Activity Summary

IC50 4 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 8.1 8.1 7.9 4

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine