MetaADEDB 2.0 @ LMMD
N-(2-(4-bromocinnamylamino)ethyl)-5-isoquinolinesulfonamide
(ZKZXNDJNWUTGDK-NSCUHMNNSA-N)
Structure
SMILES
Brc1ccc(cc1)/C=C/CNCCNS(=O)(=O)c1cccc2c1ccnc2
Type(s)
Experimental
Molecular Formula:
C20H20BrN3O2S
Molecular Weight:
446.361
Log P:
5.4412
Hydrogen Bond Acceptor:
5
Hydrogen Bond Donor:
2
TPSA:
79.47
CAS Number(s):
127243-85-0
Synonym(s)
1.
N-(2-(4-bromocinnamylamino)ethyl)-5-isoquinolinesulfonamide
2.
H 87
3.
H 89
4.
H-87
5.
H-89
6.
h89
External Link(s)
MeSHC063509
PubChem Compound449241
BindingDB15211
ChEBI47495
CHEMBLCHEMBL104264
DrugBankDB07995
IUPHAR/BPS Guide to PHARMACOLOGY5983
Therapeutic Target DatabaseD09FFE
ZINC2043204
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Hyperalgesia10401557CTD
2Hyperpigmentation26443706CTD
3Nerve Degeneration17136323CTD
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