Details of the Drug

General Information of Drug (ID: DMWHDRI)

Drug Name
4-(2-Aminoethyl) benzenesulfonyl fluoride
Synonyms
4-(2-Aminoethyl)benzenesulfonyl fluoride; 4-(2-Aminoethyl)benzenesulfonylfluoride; 4-(2-aminoethyl)-benzenesulfonyl fluoride; 4-(2-aminoethyl)benzene-1-sulfonyl fluoride; 4-beta-Aminoethylbenzolsulfofluoride; AC1L1C1L; AC1Q4OX1; AEBSF; AEBSF.HCl; AES; Benzenesulfonyl fluoride, 4-(2-aminoethyl)-; C8H10FNO2S; CHEMBL1256178; Lopac-A-8456; Lopac0_000132; MGSKVZWGBWPBTF-UHFFFAOYSA-N; Pefabloc; SR-01000075690
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 203.231
Logarithm of the Partition Coefficient (xlogp) 1.7
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C8H10FNO2S
IUPAC Name
4-(2-aminoethyl)benzenesulfonyl fluoride
Canonical SMILES
C1=CC(=CC=C1CCN)S(=O)(=O)F
InChI
InChI=1S/C8H10FNO2S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
InChIKey
MGSKVZWGBWPBTF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
1701
CAS Number
34284-75-8
DrugBank ID
DB07347
VARIDT ID
DR01300

Molecular Interaction Atlas of This Drug


Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Multidrug resistance-associated protein 4 (ABCC4) DTCSGPB MRP4_HUMAN Substrate [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Fluo-cAMP is transported by multidrug resistance-associated protein isoform 4 in rat choroid plexus. J Neurochem. 2010 Oct;115(1):200-8.