General
Preferred name
methiothepin
Synonyms
METITEPINE MESYLATE ()
Methiothepin maleate ()
METITEPINE ()
METHIOTHEPIN MESYLATE ()
Ro 8-6837 mesylate ()
Methiothepin (mesylate) ()
Metitepine (mesylate) ()
Ro 8-6837 (mesylate) ()
Methiotepin ()
Methiothepine ()
NSC-759875 ()
RO 8-6837 ()
RO-8-6837 ()
Methiothepin (maleate) ()
P&D ID
PD013139
CAS
20229-30-5
74611-28-2
19728-88-2
51482-89-4
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
The structure of the INN-assigned compound metitepine is a racemic mixture of two enantiomers. The structure shown here does not specifiy stereochemistry and represents the mixture.
(GtoPdb)
DESCRIPTION
5-HT1 Serotonin receptor antagonist; blocks serotonin autoreceptors
(LOPAC library)
DESCRIPTION
Has moderate affinity for 5-ht5 and high affinity for 5-ht6 and 5-HT7. Also antagonist at 5-HT1 and 5-HT2
(Tocriscreen Plus)
DESCRIPTION
Has moderate affinity for 5-ht5 and high affinity for 5-ht6 and 5-HT7. Also antagonist at 5-HT1 and 5-HT2
(Tocriscreen Total)
DESCRIPTION
Methiothepin maleate
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
1
Compound Sets
19
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
ChEMBL Drugs
DrugMAP
DrugMatrix
Enamine BioReference Compounds
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
Ki Database
LOPAC library
Mcule NIBR MoA Box Subset
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
NPC Screening Collection
Pandemic Response Box
TargetMol Bioactive Compound Library
The Spectrum Collection
Tocriscreen Plus
Tocriscreen Total
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
45
Properties
(calculated by RDKit )
Molecular Weight
356.14
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
2
Ring Count
4
Aromatic Ring Count
2
cLogP
4.4
TPSA
6.48
Fraction CSP3
0.4
Chiral centers
1.0
Largest ring
7.0
QED
0.74
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target Type
7-TM Receptors
Selectivity
5-HT1E, 5-HT1F, 5-HT6
Pathway
GPCR/G protein
Neuroscience
Neuronal Signaling
Target
5-HT
dopamine
5-HT Receptor
Member status
member
Source data