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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2105141
CHEMBL2105141
Compound Name NIAPRAZINE
ChEMBL Synonyms NIAPRAZINE | 1709 CERM
Max Phase 0
Trade Names
Molecular Formula C20H25FN4O

Additional synonyms for CHEMBL2105141 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(CCN1CCN(CC1)c2ccc(F)cc2)NC(=O)c3cccnc3
Standard InChI InChI=1S/C20H25FN4O/c1-16(23-20(26)17-3-2-9-22-15-17)8-10-24 ...
Download InChI
Standard InChI Key RSKQGBFMNPDPLR-UHFFFAOYSA-N

Sources

  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL2105141

Molecule Features

CHEMBL2105141 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov NIAPRAZINE
The Cochrane Collaboration NIAPRAZINE

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL2105141. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 0.815
CHEMBL1744525 Nicotinamide phosphoribosyltransferase Homo sapiens 0.590
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.483
CHEMBL3155 Serotonin 7 (5-HT7) receptor Homo sapiens 0.275

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4641 Voltage-gated T-type calcium channel alpha-1G subunit Homo sapiens 0.947
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 0.928
CHEMBL1744525 Nicotinamide phosphoribosyltransferase Homo sapiens 0.671
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.621
CHEMBL3155 Serotonin 7 (5-HT7) receptor Homo sapiens 0.256
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 0.210

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
356.4 356.2012 2.55 6 48.47 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.47 7.47 2.16 1.95 2 26 0.86

Structural Alerts

There are 1 structural alerts for CHEMBL2105141. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N05 - PSYCHOLEPTICS
N05C - HYPNOTICS AND SEDATIVES
N05CM - Other hypnotics and sedatives
N05CM16 - niaprazine

ChemSpider ChemSpider:RSKQGBFMNPDPLR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2105141



ACToR 27367-90-4
ChEBI 135505
DrugCentral 1908
IBM Patent System 4122C69BEDD61A8A5286692CCB7B26CC
Nikkaji J10.716F
PubChem 71919
PubChem: Thomson Pharma 14901158
SureChEMBL SCHEMBL352977

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/RSKQGBFMNPDPLR-UHFFFAOYSA-N spacer
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