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Compound Detail

CHEMBL304736

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CC(C)C(CC(=O)NOCc1ccccc1)C(=O)NC(CC(N)=O)C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL304736
Phase Preclinical
Structure Type MOL
InChI Key SIHMPWNVZDRYQS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
-0.26
ALogP
5
HBA
4
HBD
153.6
PSA (Ų)
0.39
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H26N4O5
MW 378.43
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.27

Literature References

PubMed DOI Target Context # Activities
7783143 10.1021/jm00012a011 Endothelin-converting enzyme 1 1

Data from ChEMBL 36 via Core Engine