Compound Detail
CHEMBL3668461
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
CN1CCC(c2cc3c(-c4cc(NCc5ccc(S(C)(=O)=O)cc5)ccc4F)ccnc3[nH]2)CC1
Basic Information
| ChEMBL ID | CHEMBL3668461 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDCHCLPILDWNBF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
492.6
MW (Da)
5.19
ALogP
5
HBA
2
HBD
78.1
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 | IC50 | = | 8.0 | nM | 8.1 | LANCE ULight TR-FRET Kinase Assay: CDK9 enzyme activities were measured using LA... | - |
| CDK9/cyclin T1 | IC50 | = | 8.0 | nM | 8.1 | LANCE ULight TR-FRET Kinase Assay: CDK9 enzyme activities were measured using LA... | - |
Data from ChEMBL 36 via Core Engine