dihydrexidine   

GtoPdb Ligand ID: 9267

Synonyms: DAR 0100A | DAR-0100A | DAR0100A
Compound class: Synthetic organic
Comment: Dihydrexidine is a moderately selective full agonist at the dopamine D1 and D5 receptors. Currently undergoing clinical trials to assess its efficacy in improving the cognitive and working memory deficits in schizophrenia and schizotypal disorder. Results of a proof-of-principle study are reported in [2].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 3
Rotatable bonds 0
Topological polar surface area 52.49
Molecular weight 267.13
XLogP 2.46
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Oc1cc2CCC3C(c2cc1O)c1ccccc1CN3
Isomeric SMILES Oc1cc2CC[C@H]3[C@H](c2cc1O)c1ccccc1CN3
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-/m0/s1
InChI Key BGOQGUHWXBGXJW-YOEHRIQHSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(6aS,12bR)-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridine-10,11-diol
Synonyms
DAR 0100A | DAR-0100A | DAR0100A
Database Links
CAS Registry No. 137417-08-4
GtoPdb PubChem SID 315661342
PubChem CID 5311070
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