Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4463138

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(NCc1cc(F)cc(Cl)c1)[C@@]1(O)CCN(c2ccc3[nH]ccc3c2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4463138
Phase Preclinical
Structure Type MOL
InChI Key YPBBCOGVFKOTTG-FQEVSTJZSA-N
1
Targets
2
Activities
1
Assay Types
5
PK Parameters
5
Publications
0
Known Names

Molecular Properties

401.8
MW (Da)
2.74
ALogP
3
HBA
3
HBD
85.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17ClFN3O3
MW 401.83
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.14

Activity Summary

IC50 2 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase 2
CHEMBL3922
 IC50 7.92 7.575 12.0 2

Pharmacokinetic Data

Parameter Value Units Species
AUC 10.0 ng.hr.mL-1 Mus musculus
CL 4.5 mL.min-1.kg-1 Mus musculus
Fu 0.011 - Mus musculus
Fu 0.011 - Homo sapiens
T1/2 2.65 hr Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Methionine aminopeptidase 2 IC50 = 12.0 nM 7.92 Inhibition of MetAP2 in HUVEC assessed as reduction in viability incubated for 3... 31725285
Methionine aminopeptidase 2 IC50 = 59.0 nM 7.23 Inhibition of recombinant human N-terminal His-tagged MetAP2 (2 to 478 residues)... 31725285

Literature References

PubMed DOI Target Context # Activities
31725285 10.1021/acs.jmedchem.9b01070 ADMET 9
31725285 10.1021/acs.jmedchem.9b01070 Methionine aminopeptidase 2 2
31725285 10.1021/acs.jmedchem.9b01070 No relevant target 1
31725285 10.1021/acs.jmedchem.9b01070 Unchecked 1
31725285 10.1021/acs.jmedchem.9b01070 Methionine aminopeptidase 1 1

Data from ChEMBL 36 via Core Engine