MetaADEDB 2.0 @ LMMD
rolofylline
(PJBFVWGQFLYWCB-UHFFFAOYSA-N)
Structure
SMILES
CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CC3CC2CC(C1)C3
Molecular Formula:
C20H28N4O2
Molecular Weight:
356.462
Log P:
2.7840
Hydrogen Bond Acceptor:
5
Hydrogen Bond Donor:
1
TPSA:
72.68
CAS Number(s):
136199-02-5
Synonym(s)
1.
rolofylline
2.
1,3-DNAX
3.
1,3-dipropyl-8-(3-noradamantyl)xanthine
4.
8-(3-noradamantyl)-1,3-dipropylxanthine
5.
8-(noradamantan-3-yl)-1,3-dipropylxanthine
6.
KW 3902
7.
KW-3902
8.
MK 7418
9.
MK-7418
10.
MK7418
External Link(s)
MeSHC073525
PubChem Compound64627
BindingDB50003019
CHEMBLCHEMBL52333
IUPHAR/BPS Guide to PHARMACOLOGY5604
KEGGdr:D08989
Therapeutic Target DatabaseD0X0IY
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Acute kidney injury7967229
8164396		CTD
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