MetaADEDB 2.0 @ LMMD
6-((3-chloro)anilino)-2-(isopropyl-2-hydroxyethylamino)-9-isopropylpurine
(PMXCMJLOPOFPBT-HNNXBMFYSA-N)
Structure
SMILES
OC[C@@H](C(C)C)Nc1nc(Nc2cccc(c2)Cl)c2c(n1)n(cn2)C(C)C
Type(s)
Experimental
Molecular Formula:
C19H25ClN6O
Molecular Weight:
388.894
Log P:
4.3790
Hydrogen Bond Acceptor:
6
Hydrogen Bond Donor:
3
TPSA:
87.89
CAS Number(s):
212844-53-6
Synonym(s)
1.
6-((3-chloro)anilino)-2-(isopropyl-2-hydroxyethylamino)-9-isopropylpurine
2.
purvalanol A
External Link(s)
MeSHC471843
PubChem Compound456214
BindingDB27216
ChEBI47600
CHEMBLCHEMBL23327
DrugBankDB04751
ZINC582575
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Colonic Neoplasms15958644CTD
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