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Compound Detail

CHEMBL4444678

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O=C1NCC[C@]1(O)C(=O)NCc1cc(F)cc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4444678
Phase Preclinical
Structure Type MOL
InChI Key KCFAYZQVFPIICJ-GFCCVEGCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

286.7
MW (Da)
0.35
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H12ClFN2O3
MW 286.69
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.83

Activity Summary

IC50 1 meas. best 6.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase 2
CHEMBL3922
 IC50 6.23 6.23 590.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Methionine aminopeptidase 2 IC50 = 590.0 nM 6.23 Inhibition of recombinant human N-terminal His-tagged MetAP2 (2 to 478 residues)... 30939017

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