Compound Detail
CHEMBL71260
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Basic Information
| ChEMBL ID | CHEMBL71260 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGJAEDFOKNAMQD-QXPKXGMISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
244.4
MW (Da)
3.85
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
| L-type calcium channel alpha-1c/beta-2/alpha2delta-1 CHEMBL4106164 | IC50 | 4.38 | 4.38 | 41300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 4800.0 | nM | 5.32 | Inhibitory activity against LPS-induced NO production in mouse peritoneal macrop... | 9873511 |
| L-type calcium channel alpha-1c/beta-2/alpha2delta-1 | IC50 | = | 41300.0 | nM | 4.38 | Inhibition of human alpha1c/beta2a/alpha2delta1 Cav1.2 expressed in HEK293 cells... | 34319736 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34319736 | 10.1021/acs.jnatprod.1c00136 | L-type calcium channel alpha-1c/beta-2/alpha2delta-1 | 5 |
| 34319736 | 10.1021/acs.jnatprod.1c00136 | PC-12 | 4 |
| 9873511 | 10.1016/s0960-894x(98)00391-6 | Rattus norvegicus | 2 |
| 32129622 | 10.1021/acs.jnatprod.9b00691 | HEK293 | 2 |
| 9873511 | 10.1016/s0960-894x(98)00391-6 | Mus musculus | 1 |
| 33021790 | 10.1021/acs.jnatprod.0c00642 | MDA-MB-231 | 1 |
| 33021790 | 10.1021/acs.jnatprod.0c00642 | BT-549 | 1 |
| 33021790 | 10.1021/acs.jnatprod.0c00642 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine