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Compound Detail

CHEMBL296652

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CC(C)c1ccc2c(CCC/C=N/N=C(\S)Nc3ccc(Cl)cc3)cc(C(=O)[O-])c-2cc1.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL296652
Phase Preclinical
Structure Type MOL
InChI Key MOJRTENLOXXBIS-RRIBZKRYSA-M
Parent Compound CHEMBL1206687
Active Moiety CHEMBL1206687
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

468.0
MW (Da)
6.97
ALogP
3
HBA
3
HBD
74.0
PSA (Ų)
0.11
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 C25H25ClN3NaO2S
MW 490.00
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness -0.45

Literature References

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

Data from ChEMBL 36 via Core Engine