Compound Detail
CHEMBL3289101
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C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC=C3[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]32C)[C@@]1(C)CCC(=O)O
Basic Information
| ChEMBL ID | CHEMBL3289101 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPPYCVULPFKBOG-CSHKLQQTSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
440.7
MW (Da)
8.28
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.45
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24844534 | 10.1021/np500198g | Prostaglandin E synthase | 2 |
| 24844534 | 10.1021/np500198g | Prostaglandin G/H synthase 1 | 2 |
| 24844534 | 10.1021/np500198g | Prostaglandin G/H synthase 2 | 2 |
| 35500202 | 10.1021/acs.jnatprod.1c01166 | Sentrin-specific protease 1 | 1 |
Data from ChEMBL 36 via Core Engine