Compound Detail
CHEMBL2386312
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C
Basic Information
| ChEMBL ID | CHEMBL2386312 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVWLZBQPRMCRKT-ZAVAKTSASA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
476.7
MW (Da)
5.47
ALogP
4
HBA
4
HBD
80.9
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.1
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 8000.0 | nM | 5.1 | Antiproliferative activity against human A549 cells assessed as reduction in cel... | 38970504 |
| KB | IC50 | = | 8200.0 | nM | 5.09 | Antiproliferative activity against human KB cells assessed as reduction in cell ... | 38970504 |
| Unchecked | IC50 | = | 9700.0 | nM | 5.01 | Antiproliferative activity against human KB-VIN cells over expressing p-gp asses... | 38970504 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23734701 | 10.1021/np400276q | RAW264.7 | 2 |
| 23734701 | 10.1021/np400276q | HL-60 | 1 |
| 38970504 | 10.1021/acs.jnatprod.4c00313 | A549 | 1 |
| 38970504 | 10.1021/acs.jnatprod.4c00313 | MDA-MB-231 | 1 |
| 38970504 | 10.1021/acs.jnatprod.4c00313 | MCF7 | 1 |
| 38970504 | 10.1021/acs.jnatprod.4c00313 | KB | 1 |
| 38970504 | 10.1021/acs.jnatprod.4c00313 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine