Compound Detail
CHEMBL311816
BROMOCRYPTINE Enter ChEMBL ID:
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CC(C)C1C(=O)N2CCCC2(O)C2OC(NC(=O)C3C=C4c5cccc6[nH]c(Br)c(c56)CC4N(C)C3)(C(C)C)CN12
Basic Information
| ChEMBL ID | CHEMBL311816 |
| Name | BROMOCRYPTINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXABZWSEWJTRJP-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
626.6
MW (Da)
3.28
ALogP
6
HBA
3
HBD
101.1
PSA (Ų)
0.48
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.66
Ki 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vesicular glutamate transporter 3 CHEMBL3472 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vesicular glutamate transporter 3 | IC50 | = | 22000.0 | nM | 4.66 | Compound was evaluated for competitive inhibition against Vesicular glutamate tr... | 12014964 |
| Unchecked | Ki | = | 22000.0 | nM | 4.66 | Inhibition of VGLUT (unknown origin) | 24424130 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12014964 | 10.1021/jm010261z | Vesicular glutamate transporter 3 | 1 |
| 24424130 | 10.1016/j.bmcl.2013.12.086 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine