Compound Detail
CHEMBL4213102
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Basic Information
| ChEMBL ID | CHEMBL4213102 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHCOUYYRWHXUAC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
3.28
ALogP
6
HBA
2
HBD
99.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RPMI-8226 CHEMBL614882 | IC50 | 4.69 | 4.69 | 20460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RPMI-8226 | IC50 | = | 20460.0 | nM | 4.69 | Antiproliferative activity against human RPMI8226 cells assessed as inhibition o... | 29329658 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29329658 | 10.1016/j.bmcl.2018.01.002 | CDK9/cyclin T1 | 1 |
| 29329658 | 10.1016/j.bmcl.2018.01.002 | RPMI-8226 | 1 |
Data from ChEMBL 36 via Core Engine