Compound Detail
CHEMBL349081
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Cc1ccnc(N2CCN(CCc3c(C)n4c5c(cc(C(=O)/C=C/c6ccccc6)cc35)CCC4)CC2)c1
Basic Information
| ChEMBL ID | CHEMBL349081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMLOOALXKYLMRW-ZHACJKMWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
504.7
MW (Da)
5.86
ALogP
5
HBA
0
HBD
41.4
PSA (Ų)
0.23
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 4.44 | 4.44 | 36000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | IC50 | = | 190.0 | nM | 6.72 | Ability to inhibit histamine-induced contractions of isolated guinea pig ileum | 7861415 |
| Oryctolagus cuniculus | IC50 | = | 36000.0 | nM | 4.44 | Ability to inhibit histamine phase of platelet activating factor (PAF)-induced b... | 7861415 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7861415 | 10.1021/jm00004a013 | Cavia porcellus | 1 |
| 7861415 | 10.1021/jm00004a013 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine