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Compound Detail

CHEMBL328471

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C[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL328471
Phase Preclinical
Structure Type MOL
InChI Key WVRUNFYJIHNFKD-WDSKDSINSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

245.3
MW (Da)
-2.04
ALogP
4
HBA
5
HBD
156.8
PSA (Ų)
0.20
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 C9H19N5O3
MW 245.28
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 0.92

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
23432203 10.1021/jm400046q Unchecked 4
7629809 10.1021/jm00014a022 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine