Compound Detail
CHEMBL203335
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Basic Information
| ChEMBL ID | CHEMBL203335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZJFNQZJYNDRRY-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
445.4
MW (Da)
4.52
ALogP
5
HBA
2
HBD
66.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LAPC4 CHEMBL613292 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Panc430 CHEMBL614673 | IC50 | 5.12 | 5.12 | 7500.0 | 1 |
| Hs 766 CHEMBL612597 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
| PANC-1 CHEMBL614139 | IC50 | 5.02 | 5.02 | 9500.0 | 1 |
| ASPC1 CHEMBL612588 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| MIA PaCa-2 CHEMBL614725 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LAPC4 | IC50 | = | 6000.0 | nM | 5.22 | Cytotoxicity against human LAPC4 cell line by MTT assay | 16570932 |
| Panc430 | IC50 | = | 7500.0 | nM | 5.12 | Cytotoxicity against human Panc430 cell line by MTT assay | 16570932 |
| Hs 766 | IC50 | = | 8500.0 | nM | 5.07 | Cytotoxicity against human HS766 cell line by MTT assay | 16570932 |
| PANC-1 | IC50 | = | 9500.0 | nM | 5.02 | Cytotoxicity against human Panc1 cell line by MTT assay | 16570932 |
| ASPC1 | IC50 | = | 10000.0 | nM | 5.0 | Cytotoxicity against human ASPC1 cell line by MTT assay | 16570932 |
| MIA PaCa-2 | IC50 | = | 10000.0 | nM | 5.0 | Cytotoxicity against human Miapaca2 cell line by MTT assay | 16570932 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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