Compound Detail
CHEMBL4756595
ENITOCICLIB Phase I
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Phase I
Basic Information
| ChEMBL ID | CHEMBL4756595 |
| Name | ENITOCICLIB |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | YZCUMZWULWOUMD-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
16
Publications
4
Known Names
1
Indications
Molecular Properties
404.4
MW (Da)
4.35
ALogP
6
HBA
2
HBD
88.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Neoplasms
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| MOLM-13 CHEMBL3706572 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of CDK9 (unknown origin) | 32866383 |
| CDK9/cyclin T1 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of CDK9/Cyclin T (unknown origin) | 35485642 |
| MOLM-13 | IC50 | = | 29.0 | nM | 7.54 | Antiproliferative activity against human MOLM-13 cells | 32866383 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | HEK-293T | 10 |
| - | 10.6019/CHEMBL5303304 | U2OS | 8 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 3 |
| 32866383 | 10.1021/acs.jmedchem.0c00744 | Cyclin-dependent kinase 9 | 1 |
| 32866383 | 10.1021/acs.jmedchem.0c00744 | MOLM-13 | 1 |
| 35485642 | 10.1021/acs.jmedchem.1c02064 | CDK9/cyclin T1 | 1 |
| - | 10.6019/CHEMBL5308504 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5308504 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5308504 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5308504 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5308504 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5308504 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5308504 | Fibroblast growth factor receptor 3 | 1 |
| - | 10.6019/CHEMBL5308504 | Peregrin | 1 |
| - | 10.6019/CHEMBL5308504 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5308504 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine