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Compound Detail

CHEMBL5177567

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COCCCOc1cc(CN(C(=O)[C@@H]2CNCCO2)C2CC2)ccc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5177567
Phase Preclinical
Structure Type MOL
InChI Key KZBIKFBHOIUTGI-IBGZPJMESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.5
MW (Da)
1.59
ALogP
6
HBA
1
HBD
69.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H30N2O5
MW 378.47
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
35978678 10.1021/acsmedchemlett.2c00280 Renin 2

Data from ChEMBL 36 via Core Engine