Compound Detail
CHEMBL3640618
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CN(C)c1ccc([C@H]2C[C@@]3(C)C(CC[C@@H]3[N+](=O)[O-])C3CC[C@H]4C[C@](C)(O)CCC4C32)cc1
Basic Information
| ChEMBL ID | CHEMBL3640618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMFXDBRFRKVFFT-WSNQEUFISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
440.6
MW (Da)
5.50
ALogP
4
HBA
1
HBD
66.6
PSA (Ų)
0.50
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-aminobutyric acid type B receptor subunit 1 CHEMBL2753 | IC50 | 8.01 | 8.01 | 9.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-aminobutyric acid type B receptor subunit 1 | IC50 | = | 9.79 | nM | 8.01 | Binding Assay: [35S]TBPS binding assay. | - |
Data from ChEMBL 36 via Core Engine