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Compound Detail

CHEMBL5996682

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O=C(NCc1cc(F)cc(Cl)c1)C1(O)C(=O)N(c2ccccc2)CC1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5996682
Phase Preclinical
Structure Type MOL
InChI Key IQYQVCISRGVDRB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

378.8
MW (Da)
1.23
ALogP
4
HBA
3
HBD
89.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16ClFN2O4
MW 378.79
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.99

Activity Summary

IC50 1 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase 2
CHEMBL3922
 IC50 6.85 6.85 140.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Methionine aminopeptidase 2 IC50 = 140.0 nM 6.85 Activity Assay: The MetAP-2 activity is determined by coupling enzymatic reactio... -

Data from ChEMBL 36 via Core Engine