Compound Detail
CHEMBL3673524
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CCOC(=O)NS(=O)(=O)N1CCC(c2cc3c(-c4cncc(NCc5cccc(F)c5)n4)ccnc3[nH]2)CC1
Basic Information
| ChEMBL ID | CHEMBL3673524 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDMBBYQFYGCNGZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
553.6
MW (Da)
3.94
ALogP
8
HBA
3
HBD
142.2
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 | IC50 | = | 14.0 | nM | 7.85 | LANCE ULight TR-FRET Kinase Assay: CDK9 enzyme activities were measured using LA... | - |
Data from ChEMBL 36 via Core Engine