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Compound Detail

CHEMBL3701242

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COc1cc(C#Cc2nn(C3CN(C(=O)C#CCO)C3)c3ncnc(N)c23)cc(OC)c1

Basic Information

ChEMBL ID CHEMBL3701242
Phase Preclinical
Structure Type MOL
InChI Key STIRRQYBCBDBFK-UHFFFAOYSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

432.4
MW (Da)
0.20
ALogP
9
HBA
2
HBD
128.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N6O4
MW 432.44
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.53

Activity Summary

IC50 4 meas. best 8.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 8.92 8.92 1.2 4

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine