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Compound Detail

CHEMBL5742773

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NC(=O)CC[C@H](NC(=O)c1cc2cc(N3CC[C@](O)(C(=O)NCc4cc(F)cc(Cl)c4)C3=O)ccc2[nH]1)C(=O)O

Basic Information

ChEMBL ID CHEMBL5742773
Phase Preclinical
Structure Type MOL
InChI Key OWXBBWBRISPXLQ-SIBVEZHUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

574.0
MW (Da)
1.19
ALogP
6
HBA
6
HBD
194.9
PSA (Ų)
0.20
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25ClFN5O7
MW 573.97
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -0.90

Activity Summary

IC50 1 meas. best 7.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase 2
CHEMBL3922
IC50 7.14 7.14 73.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Methionine aminopeptidase 2 IC50 = 73.0 nM 7.14 Activity Assay: The MetAP-2 activity is determined by coupling enzymatic reactio... -

Data from ChEMBL 36 via Core Engine