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Compound Detail

CHEMBL4128342

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COCCCCn1nc(-c2ccccc2)cc1C(=O)N(CC(C)C)[C@@H]1CNC[C@H](C(=O)N2CCOCC2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4128342
Phase Preclinical
Structure Type MOL
InChI Key WMQNTTJTRZTXTL-RPBOFIJWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

525.7
MW (Da)
2.91
ALogP
7
HBA
1
HBD
88.9
PSA (Ų)
0.45
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H43N5O4
MW 525.69
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -1.50

Literature References

PubMed DOI Target Context # Activities
29754833 10.1016/j.bmc.2018.04.051 Renin 3
29754833 10.1016/j.bmc.2018.04.051 No relevant target 1

Data from ChEMBL 36 via Core Engine