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Compound Detail

CHEMBL172883

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CO[C@@H]1[C@H](OC(N)=O)CC[C@]2(CO2)[C@H]1/C(C)=N/OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL172883
Phase Preclinical
Structure Type MOL
InChI Key QGWIAAHQFJYZGG-DLFRPCDNSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
2.24
ALogP
6
HBA
1
HBD
95.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H24N2O5
MW 348.40
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 1.20

Activity Summary

EC50 1 meas. best 7.06
IC50 1 meas. best 8.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase 2
CHEMBL3922
 IC50 8.92 8.92 1.2 1
HUVEC
CHEMBL613979
 EC50 7.06 7.06 88.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Methionine aminopeptidase 2 IC50 = 1.2 nM 8.92 Inhibitory activity against Methionine aminopeptidase 2 14684305
HUVEC EC50 = 88.0 nM 7.06 Tested for inhibition of the human umbilical vein endothelial cell (HUVEC) proli... 14684305

Literature References

PubMed DOI Target Context # Activities
14684305 10.1016/j.bmcl.2003.10.008 HUVEC 19
14684305 10.1016/j.bmcl.2003.10.008 Methionine aminopeptidase 2 1

Data from ChEMBL 36 via Core Engine