Compound Detail
CHEMBL5866577
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C=CC(=O)N1CC[C@]2(C1)C[C@@H](n1nc(-c3ccc(Oc4ccccc4)nc3)c(C(N)=O)c1N)C2
Basic Information
| ChEMBL ID | CHEMBL5866577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRRPWNKLWZHCQX-CKQQTVSASA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
458.5
MW (Da)
3.16
ALogP
7
HBA
2
HBD
129.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 8.47 | 8.255 | 3.4 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 3.4 | nM | 8.47 | BTK Assay: TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to q... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 3.4 | nM | 8.47 | BTK Assay: An HTRF assay (Cisbio KinEASE-TK cat #62TK0PEC) was performed to quan... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 9.1 | nM | 8.04 | BTK Assay: TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to q... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 9.1 | nM | 8.04 | BTK Assay: An HTRF assay (Cisbio KinEASE-TK cat #62TK0PEC) was performed to quan... | - |
Data from ChEMBL 36 via Core Engine