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Compound Detail

CHEMBL3949665

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CCOCc1c(-c2cc3cc(C)cc(OC)c3s2)c2c(N)ncnn2c1C(=O)NCCO

Basic Information

ChEMBL ID CHEMBL3949665
Phase Preclinical
Structure Type MOL
InChI Key YEUQGBIVRQMUQR-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

455.5
MW (Da)
2.77
ALogP
9
HBA
3
HBD
124.0
PSA (Ų)
0.37
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25N5O4S
MW 455.54
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.76

Activity Summary

IC50 2 meas. best 8.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 8.41 8.41 3.9 1
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 8.11 8.11 7.7 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine