Compound Detail
CHEMBL3913739
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Cc1nc(Oc2ccc(-c3cc4c(cc3F)ncc3nc(C)n([C@H]5CCN(C(=O)CO)C[C@@H]5F)c34)c(Cl)c2)ncc1F
Basic Information
| ChEMBL ID | CHEMBL3913739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEZJNTJHHKUHTC-OZXSUGGESA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
597.0
MW (Da)
5.49
ALogP
8
HBA
1
HBD
106.3
PSA (Ų)
0.29
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase RAF and Dual specificity mitogen-activated protein kinase kinase 1 (Raf/MEK) CHEMBL2111351 | IC50 | 8.21 | 8.21 | 6.2 | 2 |
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | IC50 | 8.21 | 8.21 | 6.2 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine