Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

282060 - Overview - Compound Synopsis

Synonyms
AdoportAdvagraf
CapexionEnvarsus
FK 506FK-506
FK5FR-900506
FR900506Modigraf
PerixisPrograf
ProtopicTACROLIMUS
TacniTacrolimus
Tacrolimus HydrateVivadex
Molecular Formula
C44H69NO12
InChI
InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1
Smiles
C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
Cross References
UniChem184250
canSAR282060
ChEMBLCHEMBL269732
PDBe (Protein Data Bank Europe)FK5
BindingDB50030448
Commercially Available
Yes
Protein Targets


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 803.4819766484.639313126No


Compounds with the same scaffold


Image of compound ID: 282060
Murko Scaffold Family: 240 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12