Compound Detail
CHEMBL4297463
CPI-1205 Phase I
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Phase I
COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(F)(F)F)CC2)c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL4297463 |
| Name | CPI-1205 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | HPODOLXTMDHLLC-QGZVFWFLSA-N |
3
Targets
11
Activities
2
Assay Types
26
PK Parameters
20
Publications
3
Known Names
3
Indications
Molecular Properties
518.6
MW (Da)
4.72
ALogP
5
HBA
2
HBD
79.4
PSA (Ų)
0.47
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Lymphoma, Follicular Neoplasms Prostatic Neoplasms, Castration-Resistant
Activity Summary
IC50 9 meas. best 8.7
EC50 2 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | IC50 | 8.7 | 7.9614 | 2.0 | 7 |
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | EC50 | 7.55 | 7.525 | 28.0 | 2 |
| Histone-lysine N-methyltransferase EZH1 CHEMBL2189116 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.67 | 4.67 | 21300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 46091.39 | ng.hr.mL-1 | Mus musculus |
| AUC | 3661.17 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1654.27 | ng.hr.mL-1 | Canis lupus familiaris |
| CL | 23.5 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 241.67 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 97.0 | % | Rattus norvegicus |
| CL | 36.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 1715.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 40.0 | % | Mus musculus |
| CL | 53.17 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 526.67 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 76.0 | % | Canis lupus familiaris |
| Cmax | 67360.0 | nM | Mus musculus |
| Cmax | 5880.0 | nM | Rattus norvegicus |
| Cmax | 1240.0 | nM | Canis lupus familiaris |
| F | 100.0 | % | Mus musculus |
| F | 44.6 | % | Rattus norvegicus |
| F | 46.2 | % | Canis lupus familiaris |
| Fu | 0.00021 | - | Mus musculus |
| Fu | 0.00022 | - | Rattus norvegicus |
| Fu | 0.00021 | - | Canis lupus familiaris |
| T1/2 | 1.63 | hr | Mus musculus |
| T1/2 | 0.653 | hr | Rattus norvegicus |
| T1/2 | 1.84 | hr | Canis lupus familiaris |
| Tmax | 0.5 | hr | Rattus norvegicus |
| Tmax | 1.67 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine