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Compound Detail

CHEMBL341211

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O=C(O)CCCCO/N=C(\c1ccccc1)c1cccnn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL341211
Phase Preclinical
Structure Type MOL
InChI Key OOVIRZPRGTZZNQ-KNTRCKAVSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

299.3
MW (Da)
2.50
ALogP
5
HBA
1
HBD
84.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17N3O3
MW 299.33
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.54

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
8831771 10.1021/jm960341g Thromboxane A2 receptor 1
8831771 10.1021/jm960341g Thromboxane-A synthase 1
8831771 10.1021/jm960341g Homo sapiens 1

Data from ChEMBL 36 via Core Engine