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Compound Detail

CHEMBL48223

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NC(N)=NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL48223
Phase Preclinical
Structure Type MOL
InChI Key LQJAALCCPOTJGB-YUMQZZPRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

271.3
MW (Da)
-1.56
ALogP
4
HBA
4
HBD
148.0
PSA (Ų)
0.26
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H21N5O3
MW 271.32
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 0.67

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80059-1 Unchecked 1
- 10.1016/S0960-894X(00)80059-1 Mus musculus 1
25016232 10.1016/j.ejmech.2014.07.015 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine