PIMECROLIMUS

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC D11AH02
UNII 7KYV510875

Structure

InChI Key KASDHRXLYQOAKZ-XDSKOBMDSA-N
Smiles 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](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
InChI
InChI=1S/C43H68ClNO11/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)45-16-12-11-13-32(45)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-31(44)35(22-29)52-7/h18,20,25,27-33,35-39,46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31-,32-,33-,35+,36-,37-,38+,39+,43+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C43H68ClNO11
Molecular Weight 810.47
AlogP 5.72
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 158.13
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 56.0

Pharmacology

Mechanism of Action Action Reference
FK506-binding protein 1A inhibitor INHIBITOR FDA

Target Conservation

Protein: FK506-binding protein 1A
Description: Peptidyl-prolyl cis-trans isomerase FKBP1A
Organism : Homo sapiens
P62942 ENSG00000088832

Related Entries

Cross References

Resources Reference
ChEBI 135888
ChEMBL CHEMBL1200686
DrugBank DB00337
DrugCentral 2168
FDA SRS 7KYV510875
Guide to Pharmacology 6783
PubChem 6509979
SureChEMBL SCHEMBL438880
ZINC ZINC000085536990
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