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Compound Detail

CHEMBL150177

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Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(N)(=O)=O)cc32)c(C)c1CCC(=O)O

Basic Information

ChEMBL ID CHEMBL150177
Phase Preclinical
Structure Type MOL
InChI Key NCORNUPANAVMRQ-ZSOIEALJSA-N
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

389.4
MW (Da)
1.79
ALogP
4
HBA
4
HBD
142.3
PSA (Ų)
0.58
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 C18H19N3O5S
MW 389.43
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.64

Activity Summary

IC50 5 meas. best 6.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 6.55 6.55 280.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 5.9 5.135 1260.0 2
Platelet-derived growth factor receptor beta
CHEMBL1913
IC50 5.82 5.82 1530.0 1
Epidermal growth factor receptor
CHEMBL203
IC50 4.07 4.07 84800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10602697 10.1021/jm9904295 Vascular endothelial growth factor receptor 2 2
10602697 10.1021/jm9904295 Fibroblast growth factor receptor 1 2
10602697 10.1021/jm9904295 Platelet-derived growth factor receptor beta 2
10602697 10.1021/jm9904295 Epidermal growth factor receptor 2

Data from ChEMBL 36 via Core Engine