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Compound Detail

CHEMBL90260

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CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL90260
Phase Preclinical
Structure Type MOL
InChI Key MMFKFJORZBJVNF-UWVGGRQHSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

268.3
MW (Da)
-0.10
ALogP
4
HBA
4
HBD
121.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H20N4O3
MW 268.32
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.19

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
7629809 10.1021/jm00014a022 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine