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Compound Detail

CHEMBL3701269

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COc1cc(C#Cc2cn(C3CN(C(=O)/C=C/CN4CCC4)C3)c3ncncc23)cc(OC)c1

Basic Information

ChEMBL ID CHEMBL3701269
Phase Preclinical
Structure Type MOL
InChI Key PTQPWGTXAYXMAJ-HWKANZROSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

457.5
MW (Da)
2.49
ALogP
7
HBA
0
HBD
72.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27N5O3
MW 457.53
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.81

Activity Summary

IC50 1 meas. best 8.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 8.6 8.6 2.5 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine