Compound Detail
CHEMBL3188193
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
CCCCCCCCN1C(=O)[C@@H](CC(=O)NCc2ccc(OC)c(OC)c2)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)C)O[C@@H]2C1CC1
Basic Information
| ChEMBL ID | CHEMBL3188193 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMUQJRZTGCHCFQ-ZTDRBNPFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
612.8
MW (Da)
5.80
ALogP
7
HBA
1
HBD
103.4
PSA (Ų)
0.19
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.96 | 4.96 | 10849.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 10849.0 | nM | 4.96 | PubChem BioAssay. QFRET-based biochemical high throughput dose response assay to... | - |
Data from ChEMBL 36 via Core Engine