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Compound Detail

CHEMBL6013953

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CCCCc1cc2c(C[C@](O)(C(=O)O)[C@@H](N)CSC)ncc(C)c2o1

Basic Information

ChEMBL ID CHEMBL6013953
Phase Preclinical
Structure Type MOL
InChI Key ORMUYBGPUMGSRO-MAUKXSAKSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

366.5
MW (Da)
2.53
ALogP
6
HBA
3
HBD
109.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H26N2O4S
MW 366.48
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.26

Activity Summary

IC50 2 meas. best 8.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucyl-cystinyl aminopeptidase
CHEMBL3712
IC50 8.68 8.68 2.1 1
Leucyl-cystinyl aminopeptidase
CHEMBL2693
IC50 8.51 8.51 3.1 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine