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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL570
CHEMBL570
Compound Name TRIFLUPROMAZINE
ChEMBL Synonyms Nivoman | Vetame | TRIFLUPROMAZINE HYDROCHLORIDE | TRIFLUPROMAZINE | FLUOPROMAZINE | VESPRIN
Max Phase 4 (Approved)
Trade Names VESPRIN | Vetame | Fluopromazine | Nivoman
Molecular Formula C18H19F3N2S

Additional synonyms for CHEMBL570 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(F)(F)F
Standard InChI InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24- ...
Download InChI
Standard InChI Key XSCGXQMFQXDFCW-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • Drugs for Neglected Diseases Initiative (DNDi)
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL570

Molecule Features

CHEMBL570 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:Y Topical:N Black Box:N Availability Type:Discontinued

Mechanism of Action

Mechanism of Action ChEMBL Target References
Dopamine D2 receptor antagonist Dopamine D2 receptor KEGG Other PubMed PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Psychotic DisordersD011618EFO:0005407psychosis4ATC

Clinical Data

ClinicalTrials.gov TRIFLUPROMAZINE
The Cochrane Collaboration TRIFLUPROMAZINE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL570. 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
CHEMBL231 Histamine H1 receptor Homo sapiens 1.000
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 1.000
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 1.000
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 1.000
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.999
CHEMBL1850 Dopamine D5 receptor Homo sapiens 0.999
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.999
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.998
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.998
CHEMBL3762 Voltage-gated L-type calcium channel alpha-1C subunit Rattus norvegicus 0.996
CHEMBL2731 Galanin receptor 3 Homo sapiens 0.990
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 0.989
CHEMBL3459 Serotonin 1b (5-HT1b) receptor Rattus norvegicus 0.984
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 0.982
CHEMBL2367 Peptide deformylase Staphylococcus aureus subsp. aureus Mu50 0.943
CHEMBL4701 Histamine H1 receptor Rattus norvegicus 0.936
CHEMBL4892 Alpha-1a adrenergic receptor Bos taurus 0.855
CHEMBL265 Dopamine D1 receptor Rattus norvegicus 0.851
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.799
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.793



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5131 Trypanothione reductase Trypanosoma cruzi 1.000
CHEMBL231 Histamine H1 receptor Homo sapiens 1.000
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 1.000
CHEMBL3459 Serotonin 1b (5-HT1b) receptor Rattus norvegicus 1.000
CHEMBL3762 Voltage-gated L-type calcium channel alpha-1C subunit Rattus norvegicus 1.000
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 1.000
CHEMBL1850 Dopamine D5 receptor Homo sapiens 0.998
CHEMBL4892 Alpha-1a adrenergic receptor Bos taurus 0.997
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.995
CHEMBL2367 Peptide deformylase Staphylococcus aureus subsp. aureus Mu50 0.994
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.993
CHEMBL1941 Histamine H2 receptor Homo sapiens 0.991
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.988
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.979
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 0.960
CHEMBL240 HERG Homo sapiens 0.954
CHEMBL1287628 NADPH oxidase 1 Homo sapiens 0.952
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.948
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.929
CHEMBL3805 Voltage-gated L-type calcium channel alpha-1S subunit Homo sapiens 0.929

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
352.4 352.1221 5.26 4 6.48 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 1 2 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.4 5.16 3.22 2 24 0.74

Structural Alerts

There are no structural alerts for CHEMBL570

Compound Cross References

ATC N - NERVOUS SYSTEM
N05 - PSYCHOLEPTICS
N05A - ANTIPSYCHOTICS
N05AA - Phenothiazines with aliphatic side-chain
N05AA05 - triflupromazine

ChemSpider ChemSpider:XSCGXQMFQXDFCW-UHFFFAOYSA-N
PubChem SID: 11111873 SID: 11111874 SID: 124881619 SID: 50100355 SID: 50104262 SID: 90341005
Wikipedia Triflupromazine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL570



ACToR 146-54-3
BindingDB 67544
Brenda 142792 151912 6695
ChEBI 9711
DrugBank DB00508
DrugCentral 2742
eMolecules 1989361
EPA CompTox Dashboard DTXSID9023704
FDA SRS RO16TQF95Y
Guide to Pharmacology 4330
Human Metabolome Database HMDB0014650
IBM Patent System 14EC809CCAC1477964924CDB5A156B08
LINCS LSM-3421
Mcule MCULE-9151902507
Nikkaji J2.957B
PharmGKB PA451773
PubChem 5568
PubChem: Thomson Pharma 14925496
SureChEMBL SCHEMBL44085
ZINC ZINC000000538507

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