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Compound Detail

CHEMBL440556

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C1CCC(NC2CCCCC2)CC1.O=C(NC(Cc1ccccc1)C(=O)COCC(=O)N1CCC[C@@H]1C(=O)O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL440556
Phase Preclinical
Structure Type MOL
InChI Key VKOJBZXDUDIVQB-TVEITMRYSA-N
Parent Compound CHEMBL366420
Active Moiety CHEMBL366420
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

438.5
MW (Da)
1.69
ALogP
5
HBA
2
HBD
113.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H49N3O6
MW 619.80
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.57

Literature References

PubMed DOI Target Context # Activities
6288947 10.1021/jm00350a023 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine