Details of the Drug

General Information of Drug (ID: DMPL1OV)

Drug Name
A-69024
Synonyms
A-69024; 58939-37-0; 7-Isoquinolinol, 1-((2-bromo-4,5-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6-methoxy-2-methyl-; A 69024; A-66359; A 66359; 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; AC1L5ACF; 1-(2-Bromo-4,5-dimethoxybenzyl)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline; Oprea1_293762; SCHEMBL462517; CTK1H3031
Indication
Disease Entry ICD 11 Status REF
Psychotic disorder 6A20-6A25 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 422.3
Logarithm of the Partition Coefficient (xlogp) 4
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C20H24BrNO4
IUPAC Name
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Canonical SMILES
CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3Br)OC)OC)O)OC
InChI
InChI=1S/C20H24BrNO4/c1-22-6-5-12-8-18(24-2)17(23)10-14(12)16(22)7-13-9-19(25-3)20(26-4)11-15(13)21/h8-11,16,23H,5-7H2,1-4H3
InChIKey
YVBUTIYRCMQJHW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
173657
CAS Number
58939-37-0
TTD ID
D0OQ4H

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 Modulator [2]
Molecular Interaction Atlas (MIA) 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) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002637)
2 (+)-[76Br]A-69024: a non-benzazepine radioligand for studies of dopamine D1 receptors using PET. Nucl Med Biol. 2002 Apr;29(3):295-302.