Compound Detail
CHEMBL357075
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Cc1ccc2cccc(OCc3c(/C=C/c4ccncc4)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(/C=C/c5ccncc5)nc4)c3/C=C/c3ccncc3)c2n1
Basic Information
| ChEMBL ID | CHEMBL357075 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCYWCCDLLZMAGA-SBSDBBAQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
775.9
MW (Da)
9.01
ALogP
8
HBA
1
HBD
123.1
PSA (Ų)
0.11
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B2 bradykinin receptor CHEMBL3157 | IC50 | 9.29 | 9.29 | 0.5 | 1 |
| B2 bradykinin receptor CHEMBL4111 | IC50 | 9.12 | 9.12 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B2 bradykinin receptor | IC50 | = | 0.51 | nM | 9.29 | Inhibition of the specific binding of [3H]BK to human recombinant Bradykinin rec... | 9804698 |
| B2 bradykinin receptor | IC50 | = | 0.76 | nM | 9.12 | Inhibition of the specific binding of [3H]BK to Bradykinin receptor B2 in guinea... | 9804698 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9804698 | 10.1021/jm980330i | B2 bradykinin receptor | 2 |
| 9804698 | 10.1021/jm980330i | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine