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Compound Detail

CHEMBL128233

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COC(=O)C1Cc2c(Cc3ccc(OC)cc3)cccc2CN1C(=O)C(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL128233
Phase Preclinical
Structure Type MOL
InChI Key RANSNVVVJGRXFI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

505.6
MW (Da)
5.54
ALogP
4
HBA
0
HBD
55.8
PSA (Ų)
0.31
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H31NO4
MW 505.61
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.24

Literature References

PubMed DOI Target Context # Activities
8258820 10.1021/jm00077a001 Angiotensin II receptor (AT-1) type-1 1
8258820 10.1021/jm00077a001 Type-2 angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine