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Compound Detail

CHEMBL424390

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CC1SC(=O)C2N(C1=O)C(C)(C)SC2(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL424390
Phase Preclinical
Structure Type MOL
InChI Key CEZPOFIGLMNQMP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

259.4
MW (Da)
2.11
ALogP
4
HBA
0
HBD
37.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H17NO2S2
MW 259.40
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 0.11

Activity Summary

IC50 1 meas. best 4.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin-converting enzyme
CHEMBL4074
 IC50 4.68 4.68 21000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin-converting enzyme IC50 = 21000.0 nM 4.68 In vitro inhibition of Angiotensin I converting enzyme activity at pH 8.5 in rab... 3009814

Literature References

PubMed DOI Target Context # Activities
3009814 10.1021/jm00155a032 Angiotensin-converting enzyme 2
3009814 10.1021/jm00155a032 Angiotensin II receptor (AT-1) type-1 2

Data from ChEMBL 36 via Core Engine