DIHYDREXIDINE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: Q3PJ4B4D0X

Structure
InChI Key BGOQGUHWXBGXJW-RHSMWYFYSA-N
Smile Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2
InChI
InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H17NO2
Molecular Weight 267.33
AlogP 2.65
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 0.0
Polar Surface Area 52.49
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 20.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
2-141 - - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - 1200 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
7-19 6-149 2300-13000 58-2607 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 2400 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cocaine-Related Disorders 1 D019970 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 123039-93-0
ChEBI 124993
ChEMBL CHEMBL25856
DrugBank DB16139
FDA SRS Q3PJ4B4D0X
Guide to Pharmacology 9267
PubChem 5311070
SureChEMBL SCHEMBL4614575
ZINC ZINC000025758512
CONTENTS