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Compound Detail

CHEMBL5832501

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Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2nncs2)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5832501
Phase Preclinical
Structure Type MOL
InChI Key IRUQONKFOVFZOS-ABAIWWIYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

472.0
MW (Da)
3.97
ALogP
8
HBA
1
HBD
99.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19ClFN5O3S2
MW 471.97
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.88

Activity Summary

IC50 2 meas. best 7.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.44 7.44 36.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 36.0 nM 7.44 Electrophysiological Assay: Current record was obtained by an automated patch cl... -
Unchecked IC50 = 36.0 nM 7.44 Electrophysiological Assay: Current record was obtained by an automated patch cl... -

Data from ChEMBL 36 via Core Engine