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Compound Detail

CHEMBL87859

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O=C(O)CN1C(=O)c2ccccc2Nc2ccc(OCc3ccccc3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL87859
Phase Preclinical
Structure Type MOL
InChI Key YTAKRFVKWAPNOF-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
4.05
ALogP
4
HBA
2
HBD
78.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18N2O4
MW 374.40
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.61

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00019-P Endothelin-1 receptor 1
- 10.1016/0960-894X(95)00019-P Endothelin receptor type B 1

Data from ChEMBL 36 via Core Engine