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Compound Detail

CHEMBL160828

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COc1ccc(-c2c(C(=O)O)c(=O)n(Cc3c(OC)cccc3OC)c3c2oc2ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL160828
Phase Preclinical
Structure Type MOL
InChI Key WMXVSTMAUHITMH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

485.5
MW (Da)
5.19
ALogP
7
HBA
1
HBD
100.1
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H23NO7
MW 485.49
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -0.15

Literature References

PubMed DOI Target Context # Activities
10098676 10.1016/s0960-894x(99)00040-2 Endothelin-1 receptor 1
10098676 10.1016/s0960-894x(99)00040-2 Endothelin receptor type B 1

Data from ChEMBL 36 via Core Engine