Details of the Drug

General Information of Drug (ID: DM9123M)

Drug Name
9-Aminomethyl-9H-fluorene-2,5,6-triol
Synonyms
9-(Aminomethyl)-9H-fluorene-2,5,6-triol; CHEMBL57672; 103692-55-3; 9H-Fluorene-2,5,6-triol,9-(aminomethyl)-; 2,5,6-Tfma; 9-Aminomethyl-9H-fluorene-2,5,6-triol; AC1L3YRM; ACMC-1C8EO; 2,5,6-Trihydroxy-9H-fluorene-9-methanamine; CTK4A2322; BDBM50025202; 9H-Fluorene-2,5,6-triol, 9-(aminomethyl)-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 243.26
Topological Polar Surface Area (xlogp) 1.3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C14H13NO3
IUPAC Name
9-(aminomethyl)-9H-fluorene-2,5,6-triol
Canonical SMILES
C1=CC2=C(C=C1O)C(C3=C2C(=C(C=C3)O)O)CN
InChI
InChI=1S/C14H13NO3/c15-6-11-9-3-4-12(17)14(18)13(9)8-2-1-7(16)5-10(8)11/h1-5,11,16-18H,6,15H2
InChIKey
KQVZVMZWAHAQGC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
124618
CAS Number
103692-55-3
TTD ID
D0O1EY

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 [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
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

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2 Dopamine/serotonin receptor ligands. 9. Oxygen-containing midsized heterocyclic ring systems and nonrigidized analogues. A step toward dopamine D5 ... J Med Chem. 2004 Aug 12;47(17):4155-8.
3 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
4 Reinforcement in an in vitro analog of appetitive classical conditioning of feeding behavior in Aplysia: blockade by a dopamine antagonist. Learn Mem. 2005 May-Jun;12(3):216-20.
5 Etiology of iodinated radiocontrast nephrotoxicity and its attenuation by beraprost. Yakugaku Zasshi. 2008 Jul;128(7):1023-9.
6 Clinical pipeline report, company report or official report of Lundbeck.
7 A D1 receptor antagonist, ecopipam, for treatment of tics in Tourette syndrome.Clin Neuropharmacol.2014 Jan-Feb;37(1):26-30.
8 Adrogolide HCl (ABT-431; DAS-431), a prodrug of the dopamine D1 receptor agonist, A-86929: preclinical pharmacology and clinical data. CNS Drug Rev. 2001 Fall;7(3):305-16.
9 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.
10 Therapeutic effects of dopamine D1/D2 receptor agonists on detrusor hyperreflexia in 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine-lesioned parkinso... J Pharmacol Exp Ther. 1998 Jul;286(1):228-33.
11 The D-1 dopamine receptor partial agonist, CY 208-243, exhibits antiparkinsonian activity in the MPTP-treated marmoset. Eur J Pharmacol. 1988 Nov 1;156(2):197-206.