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Compound Detail

CHEMBL310218

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CC1(C)[C@H]2C[C@H](CC(=O)CCCCC(=O)O)[C@@H](NC(=O)c3ccsc3)[C@@H]1C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL310218
Phase Preclinical
Structure Type MOL
InChI Key WXBHDVMBJLAGRA-WXSAJPJJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.5
MW (Da)
4.13
ALogP
4
HBA
2
HBD
83.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H29NO4S
MW 391.53
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness 0.11

Literature References

PubMed DOI Target Context # Activities
12773048 10.1021/jm0205189 Prostaglandin D2 receptor 2

Data from ChEMBL 36 via Core Engine