DASOLAMPANEL


ID: CHEMBL2103869
Name: DASOLAMPANEL
Max Phase:
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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Alternative forms of compound CHEMBL2103869
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Parent:

DASOLAMPANEL
Alternative Forms:

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#Mechanism of ActionAction TypeTarget ChEMBL IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences
1.
Glutamate receptor ionotropic kainate 1 antagonist
ANTAGONIST
Glutamate receptor ionotropic kainate 1
SINGLE PROTEIN
Homo sapiens
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2.
Glutamate receptor ionotropic AMPA antagonist
ANTAGONIST
Glutamate receptor ionotropic AMPA
PROTEIN COMPLEX GROUP
Homo sapiens
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Showing 1-2 out of 2 records
Compounds similar to CHEMBL2103869
Compounds with at least 85% similarity.



Similarity: 100.00
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1 out of 1
Showing data from CHEMBL2103869 (DASOLAMPANEL) and its 1 alternative forms.
Bioactivity Summary
Activity Ki MED Cp F
Total
11
Activity
Ki
MED
Cp
F
Showing data from CHEMBL2103869 (DASOLAMPANEL) and its 1 alternative forms.
Assay Summary
F - Func... A - ADME B - Binding T - Toxi...
Total
9
F - Functional
A - ADME
B - Binding
T - Toxicity
Showing data from CHEMBL2103869 (DASOLAMPANEL) and its 1 alternative forms.
Target Summary
Ion channel N/A
Total
4
Ion channel
N/A
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

TargetTarget Pref. NameConfidence 70%Confidence 80%Confidence 90%Activity Threshold
CHEMBL2902Dihydrofolate reductaseinactiveinactiveinactive6
CHEMBL2725Beta-lactamaseemptyactiveboth6
CHEMBL5062Coagulation factor Xemptyactiveactive6.5
CHEMBL1947Thyroid hormone receptor beta-1emptyemptyinactive7
CHEMBL2157850Ubiquitin carboxyl-terminal hydrolase 7inactiveinactiveinactive6
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.


ChEMBL
PDBe (Protein Data Bank Europe)
ChEBI (Chemical Entities of Biological Interest).
ZINC
FDA/USP Substance Registration System (SRS)
MatchIdentical ComponentSIP
CHEMBL2103869
SXI
177544
ZINC000034339219
1P85D6BE9K
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