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

117596 - Overview - Compound Synopsis

Synonyms
LARLATRUNCULIN A
Latrunculin A
Molecular Formula
C22H31NO5S
InChI
InChI=1S/C22H31NO5S/c1-15-7-5-3-4-6-8-16(2)11-20(24)27-18-12-17(10-9-15)28-22(26,13-18)19-14-29-21(25)23-19/h3-5,7,11,15,17-19,26H,6,8-10,12-14H2,1-2H3,(H,23,25)/b4-3+,7-5-,16-11-/t15-,17-,18-,19+,22-/m1/s1
Smiles
C/C1=C/C(=O)OC2CC(CCC(C)/C=C\C=C\CC1)OC(O)(C1CSC(=O)N1)C2
Cross References
UniChem282989
canSAR117596
PDBe (Protein Data Bank Europe)LAR
ChEMBLCHEMBL404116
BindingDB65515
Commercially Available
Yes


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 421.1922940923.85962660No


Compounds with the same scaffold


Image of compound ID: 117596
Murko Scaffold Family: 20 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12