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Compound Detail

CHEMBL262223

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N#Cc1ccc([C@H]2OC[C@@H](C/C=C\CCC(=O)OCCOC(=O)CC/C=C\C[C@@H]3CO[C@H](c4ccc(C#N)cc4)O[C@@H]3c3ccccc3O)[C@@H](c3cccnc3)O2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL262223
Phase Preclinical
Structure Type MOL
InChI Key TZTAYBMKFYSPIP-XSCIEUTISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

797.9
MW (Da)
8.58
ALogP
12
HBA
1
HBD
170.2
PSA (Ų)
0.06
QED
3
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C47H47N3O9
MW 797.90
Aromatic Rings 4
Heavy Atoms 59
NP-Likeness 0.24

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00004-2 Thromboxane A2 receptor 1
- 10.1016/0960-894X(96)00004-2 Thromboxane-A synthase 1

Data from ChEMBL 36 via Core Engine