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Compound Detail

CHEMBL3703472

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NC(=O)/C=C(\O)C(=O)N[C@@H](CC(=O)O)Cc1ccc(-c2cccc(Cl)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3703472
Phase Preclinical
Structure Type MOL
InChI Key HKFDCMIVIOFMDJ-FEEIMYBTSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

402.8
MW (Da)
2.44
ALogP
4
HBA
4
HBD
129.7
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19ClN2O5
MW 402.83
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.40

Activity Summary

IC50 1 meas. best 10.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Membrane metallo-endopeptidase-like 1
CHEMBL3638356
 IC50 10.15 10.15 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Membrane metallo-endopeptidase-like 1 IC50 = 0.07 nM 10.15 Inhibition Assay: Recombinant human neutral endopeptidase (expressed in insect c... -

Data from ChEMBL 36 via Core Engine