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Compound Detail

CHEMBL5789981

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C[C@@H](c1ccccc1)N1CC[C@](O)(C(=O)NCc2cc(F)cc(Cl)c2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5789981
Phase Preclinical
Structure Type MOL
InChI Key FBUUTHQAEPICJF-RBZFPXEDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

390.8
MW (Da)
2.82
ALogP
3
HBA
2
HBD
69.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20ClFN2O3
MW 390.84
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.99

Activity Summary

IC50 1 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase 2
CHEMBL3922
 IC50 6.75 6.75 180.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Methionine aminopeptidase 2 IC50 = 180.0 nM 6.75 Activity Assay: The MetAP-2 activity is determined by coupling enzymatic reactio... -

Data from ChEMBL 36 via Core Engine