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Compound Detail

CHEMBL5277567

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CC(C)CC(CC(=O)NO)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC(C)C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5277567
Phase Preclinical
Structure Type MOL
InChI Key CRCPLBFLOSEABN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

456.5
MW (Da)
1.41
ALogP
5
HBA
5
HBD
150.6
PSA (Ų)
0.26
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H32N4O5
MW 456.54
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.05

Activity Summary

IC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin-converting enzyme 2
CHEMBL3736
 IC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin-converting enzyme 2 IC50 = 100.0 nM 7.0 Inhibition of human recombinant ACE2 at 50 uM using (7Mca-Y-V-A- D -A-P- K(Knp) ... 32539378

Literature References

PubMed DOI Target Context # Activities
32539378 10.1021/acs.jmedchem.0c00502 Angiotensin-converting enzyme 2 1

Data from ChEMBL 36 via Core Engine