Compound Detail
CHEMBL208272
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 | CHEMBL208272 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGMOUXDGHPRDLL-UHFFFAOYSA-N |
8
Targets
8
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
428.2
MW (Da)
3.58
ALogP
6
HBA
3
HBD
119.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hs 766 CHEMBL612597 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| LNCaP CHEMBL612518 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
| LAPC4 CHEMBL613292 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
| MIA PaCa-2 CHEMBL614725 | IC50 | 6.04 | 6.04 | 920.0 | 1 |
| CWR22R CHEMBL612657 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| PANC-1 CHEMBL614139 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
| ASPC1 CHEMBL612588 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| Tubulin CHEMBL2095182 | IC50 | 4.44 | 4.44 | 36000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hs 766 | IC50 | = | 270.0 | nM | 6.57 | Cytotoxicity against human HS766 cell line by MTT assay | 16570932 |
| LNCaP | IC50 | = | 750.0 | nM | 6.12 | Cytotoxicity against human LnCaP cell line by MTT assay | 16570932 |
| LAPC4 | IC50 | = | 750.0 | nM | 6.12 | Cytotoxicity against human LAPC4 cell line by MTT assay | 16570932 |
| MIA PaCa-2 | IC50 | = | 920.0 | nM | 6.04 | Cytotoxicity against human Miapaca2 cell line by MTT assay | 16570932 |
| CWR22R | IC50 | = | 2000.0 | nM | 5.7 | Cytotoxicity against human CWR22R cell line by MTT assay | 16570932 |
| PANC-1 | IC50 | = | 3500.0 | nM | 5.46 | Cytotoxicity against human Panc1 cell line by MTT assay | 16570932 |
| ASPC1 | IC50 | = | 5200.0 | nM | 5.28 | Cytotoxicity against human ASPC1 cell line by MTT assay | 16570932 |
| Tubulin | IC50 | = | 36000.0 | nM | 4.44 | Inhibition of tubulin polymerization | 16570932 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16570932 | 10.1021/jm051261s | Tubulin | 2 |
| 16570932 | 10.1021/jm051261s | ASPC1 | 1 |
| 16570932 | 10.1021/jm051261s | PANC-1 | 1 |
| 16570932 | 10.1021/jm051261s | Panc203 | 1 |
| 16570932 | 10.1021/jm051261s | Panc430 | 1 |
| 16570932 | 10.1021/jm051261s | Panc1005 | 1 |
| 16570932 | 10.1021/jm051261s | MIA PaCa-2 | 1 |
| 16570932 | 10.1021/jm051261s | Hs 766 | 1 |
| 16570932 | 10.1021/jm051261s | CWR22R | 1 |
| 16570932 | 10.1021/jm051261s | LNCaP | 1 |
| 16570932 | 10.1021/jm051261s | LAPC4 | 1 |
Data from ChEMBL 36 via Core Engine