Compound Detail
CHEMBL3934138
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Cc1cc(OCc2ccc(-c3nnn[nH]3)cc2Cl)c(N(C(C)C)S(=O)(=O)c2cccnc2)cc1C
Basic Information
| ChEMBL ID | CHEMBL3934138 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOMCBCKZCUGBLE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
513.0
MW (Da)
4.71
ALogP
7
HBA
1
HBD
114.0
PSA (Ų)
0.36
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP1 subtype CHEMBL2181 | IC50 | 8.43 | 8.43 | 3.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP1 subtype | IC50 | = | 3.7 | nM | 8.43 | Inhibition Assay: The cells expressing mouse EP1 receptor were seeded at 104 cel... | - |
Data from ChEMBL 36 via Core Engine