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Compound Detail

CHEMBL158123

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O=C(O)c1c(-c2ccccc2)c2oc3ccccc3c2n(Cc2ccccc2)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL158123
Phase Preclinical
Structure Type MOL
InChI Key SURMPYFSKJGCGG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

395.4
MW (Da)
5.16
ALogP
4
HBA
1
HBD
72.4
PSA (Ų)
0.46
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H17NO4
MW 395.41
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -0.25

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