MetaADEDB 2.0 @ LMMD
8-(3-chlorostyryl)caffeine
(WBWFIUAVMCNYPG-BQYQJAHWSA-N)
Structure
SMILES
Clc1cccc(c1)/C=C/c1nc2c(n1C)c(=O)n(c(=O)n2C)C
Molecular Formula:
C16H15ClN4O2
Molecular Weight:
330.769
Log P:
1.7945
Hydrogen Bond Acceptor:
6
Hydrogen Bond Donor:
0
TPSA:
61.82
CAS Number(s):
147700-11-6; 148589-13-3
Synonym(s)
1.
8-(3-chlorostyryl)caffeine
2.
1,3,7-trimethyl-8-(3-chlorostyryl)xanthine
3.
8-CSC
External Link(s)
MeSHC081320
PubChem Compound5353365
BindingDB50037429
ChEBI53115
CHEMBLCHEMBL26138
IUPHAR/BPS Guide to PHARMACOLOGY5609
Therapeutic Target DatabaseD0TU7I
D0I2CD
ZINC3809416
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Catalepsy8720578
10199625		CTD
2Hypotension15641640CTD
3Movement Disorders21195062CTD
4Ventricular Dysfunction15641640
18608257		CTD
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