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Compound Detail

CHEMBL199753

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O=C(c1ccccc1)c1ccc2[nH]c(-c3ccccn3)nc2c1

Basic Information

ChEMBL ID CHEMBL199753
Phase Preclinical
Structure Type MOL
InChI Key BGNFQBMDFVWHBS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

299.3
MW (Da)
3.86
ALogP
3
HBA
1
HBD
58.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H13N3O
MW 299.33
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -1.17

Activity Summary

IC50 1 meas. best 6.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase
CHEMBL3423
IC50 6.39 6.39 403.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Methionine aminopeptidase IC50 = 403.0 nM 6.39 Inhibition of Co2+ loaded MetAP expressed in Escherichia coli 16420038

Literature References

PubMed DOI Target Context # Activities
16420038 10.1021/jm050476z Methionine aminopeptidase 2

Data from ChEMBL 36 via Core Engine