Compound Detail
CHEMBL1081393
PROCERANOLIDE Enter ChEMBL ID:
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COC(=O)C[C@H]1C(C)(C)[C@H](O)[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@]1(C)C2=O
Basic Information
| ChEMBL ID | CHEMBL1081393 |
| Name | PROCERANOLIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WAIKPAHSFOBDTD-OLJNMEOCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
470.6
MW (Da)
4.16
ALogP
7
HBA
1
HBD
103.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.29 | 4.29 | 50740.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 50740.0 | nM | 4.29 | Inhibition of LPS-induced nitric oxide production in mouse RAW264.7 cells assess... | 21733687 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19908853 | 10.1021/np900640u | NON-PROTEIN TARGET | 2 |
| 21733687 | 10.1016/j.bmcl.2011.06.010 | RAW264.7 | 2 |
| 19908853 | 10.1021/np900640u | SW-620 | 1 |
| 19908853 | 10.1021/np900640u | BT-474 | 1 |
| 19908853 | 10.1021/np900640u | HepG2 | 1 |
| 21428417 | 10.1021/np200013g | J774.1 | 1 |
| 21733687 | 10.1016/j.bmcl.2011.06.010 | Neutrophil | 1 |
| 33661631 | 10.1021/acs.jnatprod.0c01217 | Heat shock protein HSP 90-alpha | 1 |
Data from ChEMBL 36 via Core Engine