Compound Detail
CHEMBL5915469
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
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)[C@H]1CC[C@H](NCCO)CC1)c1cc(C2CC2)on1
Basic Information
| ChEMBL ID | CHEMBL5915469 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOMRUNYQBDUSGM-QOFQOLBTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
466.6
MW (Da)
1.50
ALogP
7
HBA
3
HBD
124.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase SMYD3 CHEMBL2321643 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase SMYD3 | IC50 | = | 0.71 | nM | 9.15 | SMYD3 Biochemical Assay: The assays were all performed in a buffer consisting of... | - |
Data from ChEMBL 36 via Core Engine