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Compound Detail

CHEMBL6006995

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O=C(NCc1cc(F)cc(Cl)c1)[C@@]1(O)CCN(c2ccc(OC(F)(F)F)cc2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6006995
Phase Preclinical
Structure Type MOL
InChI Key HJDKHHGNKXWSOD-SFHVURJKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

446.8
MW (Da)
3.16
ALogP
4
HBA
2
HBD
78.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15ClF4N2O4
MW 446.78
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.20

Activity Summary

IC50 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase 2
CHEMBL3922
 IC50 6.89 6.89 130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Methionine aminopeptidase 2 IC50 = 130.0 nM 6.89 Activity Assay: The MetAP-2 activity is determined by coupling enzymatic reactio... -

Data from ChEMBL 36 via Core Engine