Compound Detail
CHEMBL4209157
LIFIRAFENIB 🧪 Phase II
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🧪 Phase II
O=C1CCc2c(Oc3ccc4c(c3)[C@@H]3[C@H](O4)[C@H]3c3nc4cc(C(F)(F)F)ccc4[nH]3)ccnc2N1
Basic Information
| ChEMBL ID | CHEMBL4209157 |
| Name | LIFIRAFENIB |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | NGFFVZQXSRKHBM-FKBYEOEOSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
4
Known Names
1
Indications
1
Mechanisms
Molecular Properties
478.4
MW (Da)
5.30
ALogP
5
HBA
2
HBD
89.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf inhibitor | INHIBITOR | Serine/threonine-protein kinase B-raf | ✓ | ✓ |
Indications
Neoplasms
Activity Summary
IC50 5 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.06 | 8.06 | 8.8 | 2 |
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 7.64 | 7.4 | 23.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 8.8 | nM | 8.06 | Time-Resolved Fluorescence Energy Transfer Assay: Compounds disclosed herein wer... | - |
| Unchecked | IC50 | = | 8.8 | nM | 8.06 | Raf IC50 Assay Protocol: Compounds disclosed herein were tested against B-Raf (V... | - |
| Serine/threonine-protein kinase B-raf | IC50 | = | 23.0 | nM | 7.64 | Inhibition of BRAF (unknown origin) using MEK1 K97R mutant as substrate preincub... | 28505447 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 53.0 | nM | 7.28 | Time-Resolved Fluorescence Energy Transfer Assay: Compounds disclosed herein wer... | - |
| Serine/threonine-protein kinase B-raf | IC50 | = | 53.0 | nM | 7.28 | Raf IC50 Assay Protocol: Compounds disclosed herein were tested against B-Raf (V... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 28505447 | 10.1021/acs.jmedchem.6b01817 | Serine/threonine-protein kinase B-raf | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| - | 10.6019/EOS300108 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine