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Compound Detail

CHEMBL1324123

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Cc1cc(C(=O)CSc2nc3ccccc3o2)c(C)n1CC1CCCO1

Basic Information

ChEMBL ID CHEMBL1324123
Phase Preclinical
Structure Type MOL
InChI Key FMPHHVFXOVHBPR-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

370.5
MW (Da)
4.40
ALogP
6
HBA
0
HBD
57.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N2O3S
MW 370.47
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -2.00

Activity Summary

EC50 3 meas. best 6.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 6.68 6.6033 210.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine