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Compound Detail

CHEMBL3924079

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COc1cc(C)cc2cc(-c3c(CN)c(CN4CCNCC4)n4ncnc(N)c34)sc12

Basic Information

ChEMBL ID CHEMBL3924079
Phase Preclinical
Structure Type MOL
InChI Key DUZJRGKUZTUIRX-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

437.6
MW (Da)
2.37
ALogP
9
HBA
3
HBD
106.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27N7OS
MW 437.57
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.84

Activity Summary

IC50 2 meas. best 8.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 8.51 8.51 3.1 1
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 7.96 7.96 11.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine