Compound Detail
CHEMBL1907673
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N#Cc1cccn1-c1ncnc2c1ncn2C[C@@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
Basic Information
| ChEMBL ID | CHEMBL1907673 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INZJCFBTGUJGRP-SANMLTNESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
518.6
MW (Da)
3.26
ALogP
9
HBA
1
HBD
99.0
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.35 | 6.35 | 447.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 447.0 | nM | 6.35 | Effective concentration against Xenopus oocytes expressing human heart Na channe... | 7629798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7629798 | 10.1021/jm00014a011 | Unchecked | 2 |
| 7629798 | 10.1021/jm00014a011 | Oryctolagus cuniculus | 2 |
Data from ChEMBL 36 via Core Engine