Compound Detail
CHEMBL4213799
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Basic Information
| ChEMBL ID | CHEMBL4213799 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWZSBKHQWSMVQD-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4301341 |
| Active Moiety | CHEMBL4301341 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
1.77
ALogP
7
HBA
1
HBD
89.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Uterus CHEMBL4296544 | IC50 | 7.62 | 7.62 | 24.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Uterus | IC50 | = | 24.2 | nM | 7.62 | Inhibition of oxytocin-induced uterus contraction in non-pregnant Sprague-Dawley... | 29269216 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29269216 | 10.1016/j.bmcl.2017.12.017 | Uterus | 2 |
| 29269216 | 10.1016/j.bmcl.2017.12.017 | Rho-associated protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine