Compound Detail
CHEMBL4225966
SEL-120 FREE BASE Phase I
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Phase I
Basic Information
| ChEMBL ID | CHEMBL4225966 |
| Name | SEL-120 FREE BASE |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | FSBMCTDYWXIBLM-UHFFFAOYSA-N |
26
Targets
41
Activities
2
Assay Types
18
PK Parameters
20
Publications
1
Known Names
Molecular Properties
414.1
MW (Da)
3.23
ALogP
4
HBA
1
HBD
33.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 39 meas. best 9.01
EC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 9.01 | 9.01 | 1.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 8.87 | 8.825 | 1.3 | 2 |
| Dual specificity protein kinase CLK4 CHEMBL4203 | IC50 | 8.57 | 8.57 | 2.7 | 1 |
| CDK8/Cyclin C CHEMBL3038474 | IC50 | 8.4 | 8.0967 | 4.0 | 6 |
| Cyclin-dependent kinase 8 CHEMBL5719 | IC50 | 8.36 | 7.8475 | 4.4 | 4 |
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 8.33 | 8.33 | 4.7 | 1 |
| Dual specificity protein kinase CLK1 CHEMBL4224 | IC50 | 8.28 | 8.28 | 5.3 | 1 |
| Cyclin-C/Cyclin-dependent kinase 19 CHEMBL3883323 | IC50 | 8.0 | 7.985 | 10.0 | 4 |
| Cyclin-dependent kinase 19 CHEMBL6002 | IC50 | 7.72 | 7.66 | 19.1 | 2 |
| Cyclin-dependent kinase 8/19 CHEMBL3885556 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
| CDK8/CDK19 CHEMBL4888455 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.69 | 7.69 | 20.5 | 1 |
| Dual specificity protein kinase CLK2 CHEMBL4225 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Cytochrome P450 1A2 CHEMBL3356 | IC50 | 7.4 | 7.1 | 40.0 | 2 |
| MV4-11 CHEMBL613835 | IC50 | 7.36 | 6.98 | 43.8 | 2 |
| Serine/threonine-protein kinase haspin CHEMBL1075163 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
| CDK7/Cyclin H/MNAT1 CHEMBL3038473 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
| Homeodomain-interacting protein kinase 3 CHEMBL4577 | IC50 | 6.88 | 6.88 | 131.8 | 1 |
| Casein kinase II subunit alpha' CHEMBL4070 | IC50 | 6.55 | 6.55 | 278.9 | 1 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | IC50 | 6.53 | 6.53 | 298.2 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 6.48 | 6.48 | 332.2 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 6.14 | 6.14 | 717.5 | 1 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 5.97 | 5.97 | 1070.0 | 1 |
| Mitogen-activated protein kinase 15 CHEMBL5198 | IC50 | 5.87 | 5.87 | 1344.0 | 1 |
| Casein kinase I isoform alpha CHEMBL2793 | IC50 | 5.86 | 5.86 | 1390.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1352.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 56.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 2056.0 | ng.hr.mL-1 | Canis lupus familiaris |
| CL | 81.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 246.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 30.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| Cmax | 345.29 | nM | Mus musculus |
| Cmax | 28.98 | nM | Rattus norvegicus |
| Cmax | 519.15 | nM | Canis lupus familiaris |
| F | 155.0 | % | Mus musculus |
| F | 20.0 | % | Rattus norvegicus |
| F | 136.0 | % | Canis lupus familiaris |
| T1/2 | 3.01 | hr | Mus musculus |
| T1/2 | 1.77 | hr | Rattus norvegicus |
| T1/2 | 2.7 | hr | Canis lupus familiaris |
| Tmax | 1.3 | hr | Mus musculus |
| Tmax | 1.67 | hr | Rattus norvegicus |
| Tmax | 4.18 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine