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Compound Detail

CHEMBL5886068

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O=C(NCc1cc(F)cc(Cl)c1)[C@@]1(O)CCN(c2cnc3[nH]cc(Br)c3c2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5886068
Phase Preclinical
Structure Type MOL
InChI Key UZEXNNZRWKKYQF-IBGZPJMESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

481.7
MW (Da)
2.90
ALogP
4
HBA
3
HBD
98.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15BrClFN4O3
MW 481.71
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.05

Activity Summary

IC50 1 meas. best 7.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase 2
CHEMBL3922
 IC50 7.26 7.26 55.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Methionine aminopeptidase 2 IC50 = 55.0 nM 7.26 Activity Assay: The MetAP-2 activity is determined by coupling enzymatic reactio... -

Data from ChEMBL 36 via Core Engine