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Compound Detail

CHEMBL3979384

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COc1cc(C)cc2cc(-c3c(COC4CCC4)c(CN4CCNCC4)n4ncnc(N)c34)sc12

Basic Information

ChEMBL ID CHEMBL3979384
Phase Preclinical
Structure Type MOL
InChI Key GEMHNNGOAKEHGC-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

492.6
MW (Da)
3.98
ALogP
9
HBA
2
HBD
89.9
PSA (Ų)
0.40
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 C26H32N6O2S
MW 492.65
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.73

Activity Summary

IC50 2 meas. best 9.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 9.05 9.05 0.9 1
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 8.31 8.31 4.9 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine