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Compound Detail

CHEMBL298569

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CCOc1ccc2c(c1)[C@@H](c1ccc(OC)cc1OCCO)N(CC(=O)O)[C@@H]2c1ccc2c(c1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL298569
Phase Preclinical
Structure Type MOL
InChI Key SIKCHHQFRMPLOK-VSGBNLITSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

507.5
MW (Da)
3.77
ALogP
8
HBA
2
HBD
106.9
PSA (Ų)
0.42
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H29NO8
MW 507.54
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.08

Literature References

PubMed DOI Target Context # Activities
11425549 10.1016/s0960-894x(01)00273-6 Endothelin-1 receptor 1
11425549 10.1016/s0960-894x(01)00273-6 Endothelin receptor type B 1

Data from ChEMBL 36 via Core Engine