Compound Detail
CHEMBL303788
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Basic Information
| ChEMBL ID | CHEMBL303788 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWSJHOWENWEAOU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
435.3
MW (Da)
3.07
ALogP
6
HBA
0
HBD
85.4
PSA (Ų)
0.18
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 4.11 | 4.11 | 78000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 37.0 | hr | - |
| T1/2 | 0.01111 | hr | Sus scrofa |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 78000.0 | nM | 4.11 | Concentration required to reduce the viability of L1210 cells by 50% after 1-h i... | 1992116 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1992116 | 10.1021/jm00105a030 | ADMET | 1 |
| 1992116 | 10.1021/jm00105a030 | Sus scrofa | 1 |
| 1992116 | 10.1021/jm00105a030 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine