DASOLAMPANEL
ID: CHEMBL2103869
Name: DASOLAMPANEL
Max Phase:
Phase 2
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Molecular Formula: C17H20ClN5O3
Molecular Weight: 377.83
Molecule Type: Small molecule
Synonyms and Trade Names:
Dasolampanel
DASOLAMPANEL
NGX426
Molfile:
Canonical SMILES:
Standard InChI:
Standard InChI Key:
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corresponding source.
Alternative forms of compound CHEMBL2103869
5
Showing 1-2
out of 2 records
| # | Mechanism of Action | Action Type | Target ChEMBL ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|---|---|---|---|---|---|---|---|
| 1. |
Glutamate receptor ionotropic kainate 1 antagonist
|
ANTAGONIST
|
Glutamate receptor ionotropic kainate 1
|
SINGLE PROTEIN
|
Homo sapiens
|
---
| ||
| 2. |
Glutamate receptor ionotropic AMPA antagonist
|
ANTAGONIST
|
Glutamate receptor ionotropic AMPA
|
PROTEIN COMPLEX GROUP
|
Homo sapiens
|
---
|
Showing 1-2
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Compounds similar to CHEMBL2103869
Compounds with at least 85% similarity.
1
1 out of 1
Showing data from CHEMBL2103869 (DASOLAMPANEL) and its 1 alternative forms.
Bioactivity Summary
Total
11
Activity
Ki
MED
Cp
F
Showing data from CHEMBL2103869 (DASOLAMPANEL) and its 1 alternative forms.
Assay Summary
Total
9
F - Functional
A - ADME
B - Binding
T - Toxicity
Showing data from CHEMBL2103869 (DASOLAMPANEL) and its 1 alternative forms.
No data available. (Documents related to CHEMBL2103869 (DASOLAMPANEL))
The table below displays ChEMBL targets which are predicted to interact with DASOLAMPANEL (CHEMBL2103869). The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not DASOLAMPANEL (CHEMBL2103869) is predicted to interact or not with the target. The value returned can also be 'empty' if the model was not able to predict the compound or 'both' if it could not conclude. The predictions are given at three different confidence levels. More information on the methodology is available at: https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0325-4
| Target | Target Pref. Name | Confidence 70% | Confidence 80% | Confidence 90% | Activity Threshold |
|---|---|---|---|---|---|
| CHEMBL2902 | Dihydrofolate reductase | inactive | inactive | inactive | 6 |
| CHEMBL2725 | Beta-lactamase | empty | active | both | 6 |
| CHEMBL5062 | Coagulation factor X | empty | active | active | 6.5 |
| CHEMBL1947 | Thyroid hormone receptor beta-1 | empty | empty | inactive | 7 |
| CHEMBL2157850 | Ubiquitin carboxyl-terminal hydrolase 7 | inactive | inactive | inactive | 6 |
Molecular Weight:
377.83
Molecular Weight (Monoisotopic):
377.1255
AlogP:
2.13
#Rotatable Bonds:
4
Polar Surface Area:
113.02
Molecular Species:
ZWITTERION
HBA:
6
HBD:
3
#RO5 Violations:
0
HBA (Lipinski):
8
HBD (Lipinski):
3
#RO5 Violations (Lipinski):
0
CX Acidic pKa:
1.66
CX Basic pKa:
10.55
CX LogP:
-0.27
CX LogD:
-1.82
Aromatic Rings:
2
Heavy Atoms:
26
QED Weighted:
0.75
Np Likeness Score:
-0.06
UniChem Connectivity Layer Cross References for
CHEMBL2103869
Columns Legend:
- S: stereochemical difference.
- I: isotopic difference.
- P: protonation differences identified.
| Match | Identical Component | S | I | P |
|---|---|---|---|---|
| CHEMBL2103869 | ||||
| SXI | ||||
| 177544 | ||||
| ZINC000034339219 | ||||
| 1P85D6BE9K |
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