CLINDAMYCIN PALMITATE

Search structure
Status: Approved (1986)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: C501Z28AFG

Structure
InChI Key OYSKUZDIHNKWLV-PRUAPSLNSA-N
Smile CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1SC
InChI
InChI=1S/C34H63ClN2O6S/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-27(38)42-32-30(40)29(39)31(43-34(32)44-5)28(24(3)35)36-33(41)26-22-25(20-7-2)23-37(26)4/h24-26,28-32,34,39-40H,6-23H2,1-5H3,(H,36,41)/t24-,25+,26-,28+,29+,30-,31+,32+,34+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H63ClN2O6S
Molecular Weight 663.41
AlogP 6.42
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 22.0
Polar Surface Area 108.33
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 44.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 3.17-16.98

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135866
ChEMBL CHEMBL1201289
DrugCentral 679
EPA CompTox DTXSID20190134
FDA SRS C501Z28AFG
PubChem 16052039
ZINC ZINC000058568799
CONTENTS