Details of the Drug

General Information of Drug (ID: DMPWXI8)

Drug Name

6-fluoronorepinehprine

Synonyms

6-fluoronorepinehprine; CHEMBL295072; 2-Fluoronorepinephrine; fluoronorepinephrine; BDBM50087518

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

187.17

Logarithm of the Partition Coefficient (xlogp)

-0.5

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C8H10FNO3
IUPAC Name: 4-[(1R)-2-amino-1-hydroxyethyl]-3-fluorobenzene-1,2-diol
Canonical SMILES: C1=CC(=C(C(=C1[C@H](CN)O)F)O)O
InChI: InChI=1S/C8H10FNO3/c9-7-4(6(12)3-10)1-2-5(11)8(7)13/h1-2,6,11-13H,3,10H2/t6-/m0/s1
InChIKey: FOTRTWXNJQSQJS-LURJTMIESA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor alpha-1B (ADRA1B)	TTBRKXS	ADA1B_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Structural basis of the selectivity of the beta(2)-adrenergic receptor for fluorinated catecholamines. Bioorg Med Chem. 2009 Dec 1;17(23):7987-92.