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Drug Details

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Name:CHEMBL316852
PubChem ID:44327010
Pathway:Show KEGG pathways
InChI:InChI=1S/C52H76N2O13/c1-11-35-23-29(2)46(57)30(3)24-44(63-9)48-45(64-10)25-32(5)52(61,67-48)49(58)50(59)54-20-13-12-14-39(54)51(60)66-47(33(6)40(55)28-41(35)56)31(4)22-34-15-18-42(43(26-34)62-8)65-37-16-17-38-36(27-37)19-21-53(38)7/h16-17,19,21-23,27,30,32-35,39-40,42-48,55,57,61H,11-15,18,20,24-26,28H2,1-10H3/b29-23-,31-22+/t30-,32+,33+,34-,35+,39?,40-,42+,43+,44-,45-,46+,47+,48?,52+/m0/s1
SMILES:CO[C@@H]1C[C@@H](CC[C@H]1Oc1ccc2c(c1)ccn2C)/C=C(/[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)OC([C@H](C[C@@H]([C@@H](/C(=C\[C@H](C(=O)C[C@@H]([C@H]1C)O)CC)/C)O)C)OC)[C@H](C[C@H]2C)OC)\C

Properties:
Formula:C52H76N2O13Atoms:67
Molecular Weight:937.165Rotatable Bonds:8
H-bond Acceptors:15H-bond Donors:3
logP:5.96
Targets:
NameUniprot IDSourceReferencesInteraction
Calcineurin subunit B type 2CANB2_HUMANBindingDB-shows
Synonyms:
CHEBI:253719
CHEMBL316852
L-707587