Compound Detail
CHEMBL5886682
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Cc1cc2[nH]c([C@H]3[C@@H]4Oc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5[C@@H]43)nc2cc1F
Basic Information
| ChEMBL ID | CHEMBL5886682 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUZCEFIOTAPEKC-DNVJHFABSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
442.4
MW (Da)
4.72
ALogP
5
HBA
2
HBD
89.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.6 | 8.6 | 2.5 | 2 |
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 7.68 | 7.68 | 21.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2.5 | nM | 8.6 | Time-Resolved Fluorescence Energy Transfer Assay: Compounds disclosed herein wer... | - |
| Unchecked | IC50 | = | 2.5 | nM | 8.6 | Raf IC50 Assay Protocol: Compounds disclosed herein were tested against B-Raf (V... | - |
| Serine/threonine-protein kinase B-raf | IC50 | = | 21.0 | nM | 7.68 | Time-Resolved Fluorescence Energy Transfer Assay: Compounds disclosed herein wer... | - |
| Serine/threonine-protein kinase B-raf | IC50 | = | 21.0 | nM | 7.68 | Raf IC50 Assay Protocol: Compounds disclosed herein were tested against B-Raf (V... | - |
Data from ChEMBL 36 via Core Engine