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
Logarithm of the Partition Coefficient (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

1 Synthesis and dopaminergic binding of 2-aryldopamine analogues: phenethylamines, 3-benzazepines, and 9-(aminomethyl)fluorenes. J Med Chem. 1986 Oct;29(10):1904-12.