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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL19215
CHEMBL19215
Compound Name METERGOLINE
ChEMBL Synonyms FI-6337 | Metergoline
Max Phase 0
Trade Names
Molecular Formula C25H29N3O2

Additional synonyms for CHEMBL19215 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]3[C@H]1Cc4cn(C)c5cccc3c45
Standard InChI InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5 ...
Download InChI
Standard InChI Key WZHJKEUHNJHDLS-QTGUNEKASA-N

Molecule Features

CHEMBL19215 compound icon
Drug Type:Natural Product Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are 2 structural alerts for CHEMBL19215. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL19215

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 CHEMBL19215. 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 0.937
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.395
CHEMBL3223 Serotonin 7 (5-HT7) receptor Rattus norvegicus 0.258
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.202

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 0.901
CHEMBL3223 Serotonin 7 (5-HT7) receptor Rattus norvegicus 0.378
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.251

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
403.5 403.226 4.25 5 46.5 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.13 - 1.65 1.65 3 30 0.69

Compound Cross References

ATC G - GENITO URINARY SYSTEM AND SEX HORMONES
G02 - OTHER GYNECOLOGICALS
G02C - OTHER GYNECOLOGICALS
G02CB - Prolactine inhibitors
G02CB05 - metergoline

ChemSpider ChemSpider:WZHJKEUHNJHDLS-QTGUNEKASA-N
PubChem SID: 104171342 SID: 124882907 SID: 124882908 SID: 144204359 SID: 170466571 SID: 26751517 SID: 26751518 SID: 50104076 SID: 50104077 SID: 50104078 SID: 56422452 SID: 85231339 SID: 855801 SID: 90341228
Wikipedia Metergoline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL19215



ACToR 17692-51-2
BindingDB 30704
ChEBI 64216
eMolecules 591868
EPA CompTox Dashboard DTXSID5042584
FDA SRS 1501393LY5
Guide to Pharmacology 133
IBM Patent System 05EAF1C3630565F4C56EE253E8A1E117
LINCS LSM-3265
MolPort MolPort-001-794-640
Nikkaji J10.158C
PubChem 28693
PubChem: Thomson Pharma 14781460
SureChEMBL SCHEMBL117882

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