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Compound Detail

CHEMBL5930294

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CCSC[C@H](N)[C@](O)(Cc1cc(OCCCC2CC2)ccn1)C(=O)O

Basic Information

ChEMBL ID CHEMBL5930294
Phase Preclinical
Structure Type MOL
InChI Key CMYFNURHZMRLLH-FUHWJXTLSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

368.5
MW (Da)
2.09
ALogP
6
HBA
3
HBD
105.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H28N2O4S
MW 368.50
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.07

Activity Summary

IC50 4 meas. best 8.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucyl-cystinyl aminopeptidase
CHEMBL3712
IC50 8.72 8.72 1.9 2
Leucyl-cystinyl aminopeptidase
CHEMBL2693
IC50 7.89 7.89 13.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine