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Compound Detail

CHEMBL70875

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CC(C)C[C@H](NC(=O)C(S)[C@@H](N)Cc1ccccc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL70875
Phase Preclinical
Structure Type MOL
InChI Key CJBSSFSBUKZFOW-RFHHWMCGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
1.47
ALogP
4
HBA
4
HBD
92.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H24N2O3S
MW 324.45
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.15

Activity Summary

IC50 1 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.8 5.8 1600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1600.0 nM 5.8 Inhibition of partially purified soluble aminopeptidase from rat brain 3184127

Literature References

PubMed DOI Target Context # Activities
3184127 10.1021/jm00119a023 Unchecked 1

Data from ChEMBL 36 via Core Engine