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Compound Detail

CHEMBL1391573

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N#Cc1cc2c(nc1SCC(=O)Nc1ccc(Cl)cc1)C1CCN2CC1

Basic Information

ChEMBL ID CHEMBL1391573
Phase Preclinical
Structure Type MOL
InChI Key POSSWFZBBZCNKG-UHFFFAOYSA-N
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

384.9
MW (Da)
4.03
ALogP
5
HBA
1
HBD
69.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17ClN4OS
MW 384.89
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -2.22

Activity Summary

EC50 5 meas. best 5.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 5.63 5.138 2330.0 5

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine