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Compound Detail

CHEMBL5925746

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CCCSC[C@H](N)[C@](O)(Cc1cc(O[C@H]2CC[C@H](C)CC2)ccn1)C(=O)O

Basic Information

ChEMBL ID CHEMBL5925746
Phase Preclinical
Structure Type MOL
InChI Key IHAGYUSLRGLLCB-PFSLXQJOSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

396.6
MW (Da)
2.87
ALogP
6
HBA
3
HBD
105.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H32N2O4S
MW 396.55
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness 0.07

Activity Summary

IC50 4 meas. best 9.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucyl-cystinyl aminopeptidase
CHEMBL3712
IC50 9.11 9.11 0.8 2
Leucyl-cystinyl aminopeptidase
CHEMBL2693
IC50 8.89 8.89 1.3 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine