Compound Detail
CHEMBL3582312
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c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)nc1
Basic Information
| ChEMBL ID | CHEMBL3582312 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFKXYCFECOUEJH-FKHAVUOCSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
5.46
ALogP
3
HBA
3
HBD
69.4
PSA (Ų)
0.43
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 3 CHEMBL2028 | IC50 | 7.95 | 7.75 | 11.3 | 2 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 3 | IC50 | = | 11.3 | nM | 7.95 | Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell m... | 26005524 |
| Somatostatin receptor type 3 | IC50 | = | 28.1 | nM | 7.55 | Antagonist activity against human recombinant SSTR3 expressed in CHO cells asses... | 26005524 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of MK499 binding to human ERG | 26005524 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26005524 | 10.1021/ml500514w | Somatostatin receptor type 3 | 2 |
| 26005524 | 10.1021/ml500514w | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine