ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL360328
CHEMBL360328
Compound Name LORCASERIN
ChEMBL Synonyms BELVIQ | LORCASERIN | BELVIQ XR | LORCASERIN HYDROCHLORIDE | APD356
Max Phase 4 (Approved)
Trade Names BELVIQ | BELVIQ XR
Molecular Formula C11H14ClN

Additional synonyms for CHEMBL360328 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H]1CNCCc2ccc(Cl)cc12
Standard InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6 ...
Download InChI
Standard InChI Key XTTZERNUQAFMOF-QMMMGPOBSA-N

Sources

  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL360328

Molecule Features

CHEMBL360328 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Serotonin 2c (5-HT2c) receptor agonist Serotonin 2c (5-HT2c) receptor Expert

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Cocaine-Related DisordersD019970EFO:0002610cocaine dependence2ClinicalTrials
Opioid-Related DisordersD009293EFO:0005611opioid dependence2ClinicalTrials
Tobacco Use DisorderD014029EFO:0003768nicotine dependence2ClinicalTrials
Cardiovascular DiseasesD002318EFO:0000319cardiovascular disease1ClinicalTrials
Liver DiseasesD008107EFO:0001421liver disease1ClinicalTrials
ObesityD009765EFO:0001073obesity4ATC
ClinicalTrials
ClinicalTrials
Marijuana AbuseD002189EFO:0004218marijuana dependence1ClinicalTrials
Smoking CessationD016540EFO:0004319smoking cessation2ClinicalTrials
Substance-Related DisordersD019966EFO:0003890drug dependence1ClinicalTrials

Clinical Data

ClinicalTrials.gov LORCASERIN
The Cochrane Collaboration LORCASERIN

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 CHEMBL360328. 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
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 1.000
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 1.000
CHEMBL265 Dopamine D1 receptor Rattus norvegicus 1.000
CHEMBL222 Norepinephrine transporter Homo sapiens 1.000
CHEMBL3223 Serotonin 7 (5-HT7) receptor Rattus norvegicus 0.999
CHEMBL2337 Glycine transporter 1 Homo sapiens 0.997
CHEMBL2056 Dopamine D1 receptor Homo sapiens 0.995
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 0.994
CHEMBL228 Serotonin transporter Homo sapiens 0.994
CHEMBL4617 Phenylethanolamine N-methyltransferase Homo sapiens 0.983
CHEMBL238 Dopamine transporter Homo sapiens 0.972
CHEMBL1850 Dopamine D5 receptor Homo sapiens 0.881
CHEMBL3371 Serotonin 6 (5-HT6) receptor Homo sapiens 0.700
CHEMBL2208 MAP kinase-activated protein kinase 2 Homo sapiens 0.551
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 0.389
CHEMBL3568 Nitric-oxide synthase, brain Homo sapiens 0.377
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.304
CHEMBL2331 Phenylethanolamine N-methyltransferase Bos taurus 0.229



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 1.000
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 1.000
CHEMBL265 Dopamine D1 receptor Rattus norvegicus 1.000
CHEMBL222 Norepinephrine transporter Homo sapiens 1.000
CHEMBL3223 Serotonin 7 (5-HT7) receptor Rattus norvegicus 1.000
CHEMBL2337 Glycine transporter 1 Homo sapiens 1.000
CHEMBL238 Dopamine transporter Homo sapiens 1.000
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 0.999
CHEMBL4617 Phenylethanolamine N-methyltransferase Homo sapiens 0.999
CHEMBL2331 Phenylethanolamine N-methyltransferase Bos taurus 0.999
CHEMBL228 Serotonin transporter Homo sapiens 0.998
CHEMBL2056 Dopamine D1 receptor Homo sapiens 0.996
CHEMBL2208 MAP kinase-activated protein kinase 2 Homo sapiens 0.913
CHEMBL1850 Dopamine D5 receptor Homo sapiens 0.890
CHEMBL3371 Serotonin 6 (5-HT6) receptor Homo sapiens 0.848
CHEMBL4481 Nitric oxide synthase, inducible Homo sapiens 0.751
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 0.748
CHEMBL4803 Nitric-oxide synthase, endothelial Homo sapiens 0.538
CHEMBL3568 Nitric-oxide synthase, brain Homo sapiens 0.480
CHEMBL240 HERG Homo sapiens 0.414

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
195.7 195.0815 2.59 0 12.03 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.99 2.96 .48 1 13 0.67

Structural Alerts

There are no structural alerts for CHEMBL360328

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A08 - ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
A08A - ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
A08AA - Centrally acting antiobesity products
A08AA11 - lorcaserin

ChemSpider ChemSpider:XTTZERNUQAFMOF-QMMMGPOBSA-N
DailyMed lorcaserin hydrochloride
PubChem SID: 144206569 SID: 170466882
Wikipedia Lorcaserin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL360328



ACToR 616202-92-7
BindingDB 50161646
Brenda 219688
ChEBI 65353
ChemicalBook CB61011744
DrugBank DB04871
DrugCentral 4374
EPA CompTox Dashboard DTXSID3048659
FDA SRS 637E494O0Z
Guide to Pharmacology 2941
IBM Patent System B6320713CF9B903B591AA8BC9B20D504
LINCS LSM-45745
Nikkaji J3.095.767I
PubChem 11658860
PubChem: Drugs of the Future 81044375
PubChem: Thomson Pharma 16769280
SureChEMBL SCHEMBL169382
ZINC ZINC000006733300

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