Compound Detail
CHEMBL4205084
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 | CHEMBL4205084 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZIVLVSLTIYADD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
491.5
MW (Da)
4.98
ALogP
8
HBA
2
HBD
119.2
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| RPMI-8226 CHEMBL614882 | IC50 | 4.81 | 4.81 | 15510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK9/cyclin T1 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (... | 29329658 |
| RPMI-8226 | IC50 | = | 15510.0 | nM | 4.81 | 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