Compound Detail
CHEMBL3674579
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
CC1(C)CC=C(c2cc([C@@]3(O)CC4C=C[C@H](C3)O4)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
Basic Information
| ChEMBL ID | CHEMBL3674579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXPTVZLFHYVEEA-OETVIPGSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
4.43
ALogP
5
HBA
3
HBD
111.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL5570 | IC50 | 9.18 | 9.18 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 0.66 | nM | 9.18 | Fluorescence Polarization Competition Assay: An autophosphorylation, fluroescenc... | - |
Data from ChEMBL 36 via Core Engine