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Compound Detail

CHEMBL313544

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CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(COc2ccc3sc(Cl)c(Cl)c3n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL313544
Phase Preclinical
Structure Type MOL
InChI Key BSPOMGCNKIJSIE-XMMPIXPASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

630.7
MW (Da)
9.07
ALogP
6
HBA
2
HBD
79.7
PSA (Ų)
0.15
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H33Cl2NO4S2
MW 630.66
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -0.42

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00448-3 Cysteinyl leukotriene receptor 2
- 10.1016/0960-894X(95)00448-3 Cysteinyl leukotriene receptor 1 1

Data from ChEMBL 36 via Core Engine