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Compound Detail

CHEMBL47635

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CC(C)c1ccc2c(CCC/C=N/N=C(\S)Nc3ccccc3)cc(C(=O)[O-])c-2cc1.[Na+]

Basic Information

ChEMBL ID CHEMBL47635
Phase Preclinical
Structure Type MOL
InChI Key CSRJGNIDCWBRIV-UUXIZDQESA-M
Parent Compound CHEMBL1205052
Active Moiety CHEMBL1205052
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

433.6
MW (Da)
6.32
ALogP
3
HBA
3
HBD
74.0
PSA (Ų)
0.13
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26N3NaO2S
MW 455.56
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness -0.28

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80043-8 Thromboxane A2 receptor 1
- 10.1016/S0960-894X(00)80043-8 Oryctolagus cuniculus 1

Data from ChEMBL 36 via Core Engine