Compound Detail
CHEMBL5095094
CULMERCICLIB 🧪 Phase II
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
🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL5095094 |
| Name | CULMERCICLIB |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | LLFOBMRPWNABCB-UHFFFAOYSA-N |
16
Targets
18
Activities
1
Assay Types
25
PK Parameters
20
Publications
1
Known Names
1
Indications
Molecular Properties
446.5
MW (Da)
3.84
ALogP
8
HBA
2
HBD
83.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Neoplasms
Activity Summary
IC50 18 meas. best 9.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 9.46 | 8.87 | 0.3 | 2 |
| CDK6/cyclin D1 CHEMBL2111455 | IC50 | 9.31 | 8.265 | 0.5 | 2 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 7.9 | 7.9 | 12.5 | 1 |
| MCF7 CHEMBL387 | IC50 | 7.49 | 7.49 | 32.1 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 7.45 | 7.45 | 35.3 | 1 |
| Cyclin-dependent kinase 1/cyclin B1 CHEMBL1907602 | IC50 | 6.61 | 6.61 | 246.0 | 1 |
| MDA-MB-436 CHEMBL4296465 | IC50 | 6.32 | 6.32 | 484.0 | 1 |
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 6.25 | 6.25 | 556.0 | 1 |
| CDK1/Cyclin E CHEMBL3038468 | IC50 | 5.68 | 5.68 | 2092.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| Cytochrome P450 2C19 CHEMBL3622 | IC50 | 5.03 | 5.03 | 9330.0 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 610.41 | ng.hr.mL-1 | Mus musculus |
| AUC | 2625.6 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 553.7 | ng.hr.mL-1 | Canis lupus familiaris |
| CL | 0.1164 | mL.min-1.kg-1 | Mus musculus |
| CL | 0.0378 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 0.0386 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 0.0489 | mL.min-1.kg-1 | Macaca mulatta |
| CL | 0.0125 | mL.min-1.kg-1 | Homo sapiens |
| CL | 31.3 | mL.min-1.kg-1 | Mus musculus |
| CL | 30.4 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 32.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| Cmax | 248.0 | nM | Mus musculus |
| Cmax | 415.0 | nM | Rattus norvegicus |
| Cmax | 109.0 | nM | Canis lupus familiaris |
| F | 65.0 | % | Mus musculus |
| F | 74.9 | % | Rattus norvegicus |
| F | 56.0 | % | Canis lupus familiaris |
| Fu | 0.026 | - | Mus musculus |
| Fu | 0.025 | - | Rattus norvegicus |
| Fu | 0.051 | - | Canis lupus familiaris |
| Fu | 0.061 | - | Macaca mulatta |
| Fu | 0.08 | - | Homo sapiens |
| T1/2 | 2.3 | hr | Mus musculus |
| T1/2 | 4.2 | hr | Rattus norvegicus |
| T1/2 | 7.8 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine