Compound Detail
CHEMBL4594423
TP-1287 Phase I
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Phase I
CN1CC[C@H](c2c(OP(=O)(O)O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1
Basic Information
| ChEMBL ID | CHEMBL4594423 |
| Name | TP-1287 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | YRNFLVUMZIRYKY-BLLLJJGKSA-N |
| Active Moiety | CHEMBL428690 |
2
Targets
4
Activities
1
Assay Types
1
PK Parameters
8
Publications
5
Known Names
3
Indications
Molecular Properties
481.8
MW (Da)
3.07
ALogP
7
HBA
4
HBD
140.7
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Liposarcoma Sarcoma, Ewing Sarcoma, Synovial
Activity Summary
IC50 4 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 8.0 | 7.3867 | 10.0 | 3 |
| Cyclin-dependent kinase 12 CHEMBL3559692 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 182.3 | % | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of CDK9 (unknown origin) | 38569434 |
| Cyclin-dependent kinase 12 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of CDK12 (unknown origin) | 38569434 |
| Cyclin-dependent kinase 9 | IC50 | = | 84.0 | nM | 7.08 | Inhibition of CDK9 (unknown origin) | 32866383 |
| Cyclin-dependent kinase 9 | IC50 | = | 84.0 | nM | 7.08 | Inhibition of CDK9 (unknown origin) | 35814933 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32866383 | 10.1021/acs.jmedchem.0c00744 | No relevant target | 2 |
| 32866383 | 10.1021/acs.jmedchem.0c00744 | Cyclin-dependent kinase 9 | 1 |
| 32866383 | 10.1021/acs.jmedchem.0c00744 | ADMET | 1 |
| 32866383 | 10.1021/acs.jmedchem.0c00744 | MV4-11 | 1 |
| 35814933 | 10.1039/d2md00040g | Cyclin-dependent kinase 9 | 1 |
| 35814933 | 10.1039/d2md00040g | MV4-11 | 1 |
| 38569434 | 10.1016/j.ejmech.2024.116333 | Cyclin-dependent kinase 9 | 1 |
| 38569434 | 10.1016/j.ejmech.2024.116333 | Cyclin-dependent kinase 12 | 1 |
Data from ChEMBL 36 via Core Engine