Compound Detail
CHEMBL5174158
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
Basic Information
| ChEMBL ID | CHEMBL5174158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLPLZMXEWUITFI-LGCPKXIRSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
280.3
MW (Da)
1.15
ALogP
4
HBA
2
HBD
87.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A-431 CHEMBL614069 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| KB 3-1 CHEMBL614590 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| L929 CHEMBL612267 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.44 | 4.44 | 36000.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.28 | 4.28 | 53000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A-431 | IC50 | = | 7000.0 | nM | 5.16 | Cytotoxicity against human A-431 cells assessed as inhibition of cell growth inc... | 36130285 |
| MCF7 | IC50 | = | 8000.0 | nM | 5.1 | Cytotoxicity against human MCF7 cells assessed as inhibition of cell growth incu... | 36130285 |
| KB 3-1 | IC50 | = | 18000.0 | nM | 4.75 | Cytotoxicity against human KB 3-1 cells assessed as inhibition of cell growth in... | 36130285 |
| SK-OV-3 | IC50 | = | 20000.0 | nM | 4.7 | Cytotoxicity against human SK-OV-3 cells assessed as inhibition of cell growth i... | 36130285 |
| L929 | IC50 | = | 22000.0 | nM | 4.66 | Cytotoxicity against mouse L929 cells assessed as inhibition of cell growth incu... | 36130285 |
| PC-3 | IC50 | = | 36000.0 | nM | 4.44 | Cytotoxicity against human PC-3 cells assessed as inhibition of cell growth incu... | 36130285 |
| A549 | IC50 | = | 53000.0 | nM | 4.28 | Cytotoxicity against human A549 cells assessed as inhibition of cell growth incu... | 36130285 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36130285 | 10.1021/acs.jnatprod.2c00554 | Bacillus subtilis | 1 |
| 36130285 | 10.1021/acs.jnatprod.2c00554 | Candida albicans | 1 |
| 36130285 | 10.1021/acs.jnatprod.2c00554 | Mucor hiemalis | 1 |
| 36130285 | 10.1021/acs.jnatprod.2c00554 | Wickerhamomyces anomalus | 1 |
| 36130285 | 10.1021/acs.jnatprod.2c00554 | Rhodotorula glutinis | 1 |
| 36130285 | 10.1021/acs.jnatprod.2c00554 | Schizosaccharomyces pombe | 1 |
| 36130285 | 10.1021/acs.jnatprod.2c00554 | L929 | 1 |
| 36130285 | 10.1021/acs.jnatprod.2c00554 | KB 3-1 | 1 |
| 36130285 | 10.1021/acs.jnatprod.2c00554 | MCF7 | 1 |
| 36130285 | 10.1021/acs.jnatprod.2c00554 | SK-OV-3 | 1 |
| 36130285 | 10.1021/acs.jnatprod.2c00554 | PC-3 | 1 |
| 36130285 | 10.1021/acs.jnatprod.2c00554 | A-431 | 1 |
| 36130285 | 10.1021/acs.jnatprod.2c00554 | A549 | 1 |
Data from ChEMBL 36 via Core Engine