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Compound Detail

CHEMBL4566670

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O=C(NCCc1cccs1)[C@@]1(O)CCN(c2ccccc2)C1=O

Basic Information

ChEMBL ID CHEMBL4566670
Phase Preclinical
Structure Type MOL
InChI Key FZATYXICMFSLHR-KRWDZBQOSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
1.57
ALogP
4
HBA
2
HBD
69.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N2O3S
MW 330.41
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.24

Activity Summary

IC50 2 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase 2
CHEMBL3922
IC50 7.3 7.3 50.0 1
HUVEC
CHEMBL613979
IC50 5.72 5.72 1900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30939017 10.1021/acs.jmedchem.9b00041 Methionine aminopeptidase 2 1
30939017 10.1021/acs.jmedchem.9b00041 HUVEC 1

Data from ChEMBL 36 via Core Engine