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Compound Detail

CHEMBL5186347

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COCCCOc1cc(CN(C(=O)[C@H]2CCNC2)C2CC2)ccc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5186347
Phase Preclinical
Structure Type MOL
InChI Key YXMKCWJEXYMJQU-INIZCTEOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.5
MW (Da)
2.21
ALogP
5
HBA
1
HBD
60.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H30N2O4
MW 362.47
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -1.09

Literature References

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

Data from ChEMBL 36 via Core Engine