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Compound Detail

CHEMBL1818045

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COCCCC[C@@](O)(c1ccccc1Oc1ccccc1)[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](N)C2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1818045
Phase Preclinical
Structure Type MOL
InChI Key MTWMQVRCFUVEQV-SEAFADMZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

480.6
MW (Da)
4.85
ALogP
5
HBA
2
HBD
85.0
PSA (Ų)
0.48
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 C29H40N2O4
MW 480.65
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.39

Literature References

PubMed DOI Target Context # Activities
21741239 10.1016/j.bmcl.2011.06.043 Renin 1

Data from ChEMBL 36 via Core Engine