Compound Detail
CHEMBL6057800
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Cc1c(-c2ccc(C(N)=O)c3[nH]c(-c4cncnc4)cc23)cccc1-n1cnc2ccccc2c1=O
Basic Information
| ChEMBL ID | CHEMBL6057800 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLLWUYRSVBFCPR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
472.5
MW (Da)
4.40
ALogP
6
HBA
2
HBD
119.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 550.0 | nM | 6.26 | Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) : The in-house BT... | - |
Data from ChEMBL 36 via Core Engine