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Compound Detail

CHEMBL3676148

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O=C(O)CCNC(=O)[C@@H](CC(=O)O)Cc1ccc(-c2ccccc2)cc1

Basic Information

ChEMBL ID CHEMBL3676148
Phase Preclinical
Structure Type MOL
InChI Key RMZNFEBJRAJZFT-QGZVFWFLSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
2.58
ALogP
3
HBA
3
HBD
103.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21NO5
MW 355.39
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.23

Activity Summary

IC50 2 meas. best 7.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Membrane metallo-endopeptidase-like 1
CHEMBL3638356
IC50 7.12 7.12 75.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine