Compound Detail
CHEMBL440557
DANITRACEN 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL440557 |
| Name | DANITRACEN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | HLBRHTFSMMEHPK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
7
Known Names
Molecular Properties
291.4
MW (Da)
3.61
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 2 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | IC50 | = | 2.6 | nM | 8.59 | Binding affinity at serotonin 5-hydroxytryptamine 2 receptor by [3H]ketanserin d... | 8151622 |
| D(2) dopamine receptor | IC50 | = | 1600.0 | nM | 5.8 | Binding affinity at dopamine D2 receptor by [3H]spiperone displacement. | 8151622 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8151622 | 10.1021/jm00033a013 | Serotonin 2 (5-HT2) receptor | 1 |
| 8151622 | 10.1021/jm00033a013 | D(2) dopamine receptor | 1 |
| - | 10.6019/CHEMBL4296182 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4296182 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4296182 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4296182 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4296182 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4296182 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4296182 | Klebsiella pneumoniae | 1 |
Data from ChEMBL 36 via Core Engine