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Compound Detail

CHEMBL305035

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COc1ccc(C2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2ccc(OCCCN(C)C)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL305035
Phase Preclinical
Structure Type MOL
InChI Key QQXHFAXELLQPPS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

517.6
MW (Da)
4.15
ALogP
8
HBA
1
HBD
86.7
PSA (Ų)
0.32
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 C30H31NO7
MW 517.58
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness 0.15

Literature References

PubMed DOI Target Context # Activities
10377221 10.1021/jm980504w Endothelin-1 receptor 1
10377221 10.1021/jm980504w Endothelin receptor type B 1

Data from ChEMBL 36 via Core Engine