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Compound Detail

CHEMBL4106638

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CCOCc1c(-c2cc3cc(C)cc(OC)c3s2)c2c(N)ncnn2c1CN[C@@H]1CCNC1=O

Basic Information

ChEMBL ID CHEMBL4106638
Phase Preclinical
Structure Type MOL
InChI Key BQGCDWWKWBZGAX-MRXNPFEDSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

480.6
MW (Da)
3.02
ALogP
9
HBA
3
HBD
115.8
PSA (Ų)
0.35
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 C24H28N6O3S
MW 480.59
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.54

Activity Summary

IC50 4 meas. best 8.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 8.38 8.205 4.2 2
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 7.98 7.865 10.4 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine