LATREPIRDINE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: OD9237K1Z6

Structure
InChI Key JNODQFNWMXFMEV-UHFFFAOYSA-N
Smile Cc1ccc2c(c1)c1c(n2CCc2ccc(C)nc2)CCN(C)C1
InChI
InChI=1S/C21H25N3/c1-15-4-7-20-18(12-15)19-14-23(3)10-9-21(19)24(20)11-8-17-6-5-16(2)22-13-17/h4-7,12-13H,8-11,14H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H25N3
Molecular Weight 319.45
AlogP 3.88
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 21.06
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 24.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 7900-7900000 - -
Enzyme
- 7900-7900000 - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -16.19-0.41
Ion channel Ligand-gated ion channel 5HT3 receptor
- - - - 21.64
Ion channel Ligand-gated ion channel Ionotropic glutamate receptor NMDA receptor
- 13900 - - -
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 50000 - - -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- - - - 1.39
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - 109.65-728.95 0.23
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - 630.96-1547.75 32.63
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 158-1580 - 215.25
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 890-1160 - 26-143.87 39.09
Membrane receptor
25000000 158-1580 - 26-143.87 0.23
Structural protein
- 56700 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- - - -
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 135900 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Alzheimer Disease 3 D000544 ClinicalTrials
Huntington Disease 3 D006816 ClinicalTrials
Liver Failure 1 D017093 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 92976
ChEMBL CHEMBL589390
DrugBank DB11725
EPA CompTox DTXSID20189705
FDA SRS OD9237K1Z6
Human Metabolome Database HMDB0240240
PubChem 197033
SureChEMBL SCHEMBL292354
ZINC ZINC000008144259
CONTENTS