Compound Detail
CHEMBL4449904
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Basic Information
| ChEMBL ID | CHEMBL4449904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUQUDVBFUSEBKX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
412.6
MW (Da)
4.55
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DLD-1 CHEMBL614285 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.917 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DLD-1 | IC50 | = | 11.0 | nM | 7.96 | Antiproliferative activity against human DLD1 cells after 72 hrs by Celltiter-Gl... | 31070915 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31070915 | 10.1021/acs.jmedchem.9b00532 | DLD-1 | 1 |
| 31070915 | 10.1021/acs.jmedchem.9b00532 | HCT-116 | 1 |
| 31070915 | 10.1021/acs.jmedchem.9b00532 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine