Compound Detail
CHEMBL1077025
GARCINIALIPTONE B Enter ChEMBL ID:
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C=C(C)[C@@H]1C[C@]23C[C@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(O)c4)=C2O[C@H]1C=C(C)C)C3=O
Basic Information
| ChEMBL ID | CHEMBL1077025 |
| Name | GARCINIALIPTONE B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFHKVDYTQYGRHC-JVFVNDAQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
600.8
MW (Da)
8.37
ALogP
6
HBA
2
HBD
100.9
PSA (Ų)
0.10
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.67 | 4.67 | 21300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 21300.0 | nM | 4.67 | Anti-inflammatory activity in mouse RAW264.7 cells assessed as inhibition of IFN... | 24960143 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20594858 | 10.1016/j.bmc.2010.06.014 | Unchecked | 6 |
| 20058933 | 10.1021/np9004147 | ADMET | 2 |
| 20232858 | 10.1021/np900620y | KB | 2 |
| 24960143 | 10.1021/np5003498 | RAW264.7 | 1 |
| 20058933 | 10.1021/np9004147 | HT-29 | 1 |
| 24960143 | 10.1021/np5003498 | MCF7 | 1 |
| 24960143 | 10.1021/np5003498 | HepG2 | 1 |
| 22871217 | 10.1021/np3003639 | A-375 | 1 |
| 22871217 | 10.1021/np3003639 | ADMET | 1 |
| 22871217 | 10.1021/np3003639 | AGS | 1 |
| 22871217 | 10.1021/np3003639 | HepG2 | 1 |
| 22871217 | 10.1021/np3003639 | SMMC-7721 | 1 |
| 22871217 | 10.1021/np3003639 | MDA-MB-231 | 1 |
| 22871217 | 10.1021/np3003639 | MCF7 | 1 |
| 22871217 | 10.1021/np3003639 | A549 | 1 |
| 22871217 | 10.1021/np3003639 | PANC-1 | 1 |
| 22871217 | 10.1021/np3003639 | NCI-H2126 | 1 |
| 22871217 | 10.1021/np3003639 | BXPC-3 | 1 |
| 22871217 | 10.1021/np3003639 | NON-PROTEIN TARGET | 1 |
| 20232858 | 10.1021/np900620y | DU-145 | 1 |
Data from ChEMBL 36 via Core Engine