Compound Detail
CHEMBL4442620
RONICICLIB 🧪 Phase II
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🧪 Phase II
C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(S(=N)(=O)C3CC3)cc2)ncc1C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL4442620 |
| Name | RONICICLIB |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | UELYDGOOJPRWGF-MFOHZAOFSA-N |
16
Targets
58
Activities
1
Assay Types
0
PK Parameters
20
Publications
5
Known Names
3
Indications
1
Mechanisms
Molecular Properties
430.4
MW (Da)
3.96
ALogP
7
HBA
3
HBD
108.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Cyclin-dependent kinase inhibitor | INHIBITOR | Cyclin-dependent kinase | ✓ | ✓ |
Indications
Neoplasms Small Cell Lung Carcinoma Carcinoma, Non-Small-Cell Lung
Activity Summary
IC50 58 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 8.3 | 8.3 | 5.0 | 4 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 8.3 | 8.0857 | 5.0 | 7 |
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 8.3 | 7.8333 | 5.0 | 3 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 8.3 | 8.1571 | 5.0 | 7 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 8.3 | 8.2583 | 5.0 | 6 |
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 8.3 | 8.0214 | 5.0 | 7 |
| Cyclin-dependent kinase 3 CHEMBL4442 | IC50 | 8.3 | 8.175 | 5.0 | 2 |
| Cyclin-dependent kinase 1/cyclin B1 CHEMBL1907602 | IC50 | 8.15 | 8.15 | 7.0 | 4 |
| Unchecked CHEMBL612545 | IC50 | 8.15 | 8.1 | 7.0 | 2 |
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 8.05 | 8.05 | 9.0 | 3 |
| CDK3/Cyclin E CHEMBL3038471 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 7.96 | 7.96 | 11.0 | 4 |
| MCF7 CHEMBL387 | IC50 | 7.82 | 7.8133 | 15.0 | 3 |
| Cyclin-dependent kinase 7/ cyclin H CHEMBL2111288 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| CDK7/Cyclin H/MNAT1 CHEMBL3038473 | IC50 | 7.6 | 7.6 | 25.0 | 2 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.79 | 6.79 | 163.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine