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Compound Detail

CHEMBL3676153

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O=C(O)CNC(=O)N[C@@H](CC(=O)O)Cc1ccc(-c2cccc(Cl)c2)cc1

Basic Information

ChEMBL ID CHEMBL3676153
Phase Preclinical
Structure Type MOL
InChI Key MVTZRJHEQPXHNU-MRXNPFEDSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

390.8
MW (Da)
2.78
ALogP
3
HBA
4
HBD
115.7
PSA (Ų)
0.55
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 C19H19ClN2O5
MW 390.82
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.75

Activity Summary

IC50 2 meas. best 9.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Membrane metallo-endopeptidase-like 1
CHEMBL3638356
IC50 9.1 9.1 0.8 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine