Details of the Drug

General Information of Drug (ID: DMACPQO)

Drug Name

Dihydrexidine

Synonyms

DIHYDREXIDINE; (+)-Dihydrexidine; UNII-Q3PJ4B4D0X; Q3PJ4B4D0X; CHEMBL25856; Dihydrexidine hydrochloride; (6aR,12bS)-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridine-10,11-diol; (6aR,12bS)-5,6,6a,7,8,12b-Hexahydrobenzo(a)phenanthridine-10,11-diol; Rel-Dihydrexidine; Dihydrexidine, (+)-; Lopac-D-5814; Biomol-NT_000033; AC1O7G2G; Lopac0_000380; 5,6,6a,7,8,12b-Hexahydro-benzo[a]phenanthridine-10,11-diol; BPBio1_001227; SCHEMBL4614575; CHEBI:124993; DAR-0100; IP-202; BDBM50010686; ZINC25758512; CCG-204474; NCGC00024845-04

Indication

Disease Entry	ICD 11	Status	REF
Psychotic disorder	6A20-6A25	Phase 1/2	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

267.32

Logarithm of the Partition Coefficient (xlogp)

2.5

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C17H17NO2
IUPAC Name: (6aS,12bR)-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridine-10,11-diol
Canonical SMILES: C1CC2=CC(=C(C=C2[C@H]3[C@H]1NCC4=CC=CC=C34)O)O
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
InChIKey: BGOQGUHWXBGXJW-YOEHRIQHSA-N

Cross-matching ID

PubChem CID: 5311070
CAS Number: 123039-93-0
UNII: 32D64VH037
DrugBank ID: DB12890
TTD ID: D0D3VT

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dopamine D1 receptor (D1R)	TTZFYLI	DRD1_HUMAN	Inhibitor	[2]

------------------------------------------------------------------------------------

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Catechol O-methyltransferase (COMT)	OTPWKTQG	COMT_HUMAN	Biotransformations	[3]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Psychotic disorder

ICD Disease Classification

6A20-6A25

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Dopamine D1 receptor (D1R)	DTT	DRD1	8.99E-01	-0.06	-0.3

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Effects of the D1 dopamine receptor agonist dihydrexidine (DAR-0100A) on working memory in schizotypal personality disorder. Neuropsychopharmacology. 2015 Jan;40(2):446-53.
2	trans-2,3-dihydroxy-6a,7,8,12b-tetrahydro-6H-chromeno[3,4-c]isoquinoline: synthesis, resolution, and preliminary pharmacological characterization o... J Med Chem. 2006 Nov 16;49(23):6848-57.
3	Molecular mechanisms controlling the rate and specificity of catechol O-methylation by human soluble catechol O-methyltransferase. Mol Pharmacol. 2001 Feb;59(2):393-402. doi: 10.1124/mol.59.2.393.