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Compound Detail

CHEMBL5992325

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N#Cc1c(S(=O)(=O)C(F)(F)F)ccc(Oc2cc(F)cc(Cl)c2)c1Br

Basic Information

ChEMBL ID CHEMBL5992325
Phase Preclinical
Structure Type MOL
InChI Key KPZFQYURDKATMQ-UHFFFAOYSA-N
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

458.6
MW (Da)
5.20
ALogP
4
HBA
0
HBD
67.2
PSA (Ų)
0.59
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H5BrClF4NO3S
MW 458.61
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.46

Activity Summary

EC50 3 meas. best 5.8
IC50 1 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Endothelial PAS domain-containing protein 1
CHEMBL1744522
IC50 7.82 7.82 15.0 1
Vascular endothelial growth factor A, long form
CHEMBL1783
EC50 5.8 5.8 1580.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine