Obp-801
(1S,5S,6R,9S,15E,20R)-5-hydroxy-20-methyl-6-propan-2-yl-2-oxa-11,12-dithia-7,19,22-triazabicyclo[7.7.6]docos-15-ene-3,8,18,21-tetrone
Molecular Identity
Obp-801
(1S,5S,6R,9S,15E,20R)-5-hydroxy-20-methyl-6-propan-2-yl-2-oxa-11,12-dithia-7,19,22-triazabicyclo[7.7.6]docos-15-ene-3,8,18,21-tetrone
PubChem CID: 11178958
2D Structure
Properties
C20H31N3O6S2
Molecular Formula
473.60
Molecular Weight
g/mol
473.1654
Exact Mass
Da
0.4
XLogP
Drug-like (Lipinski: < 5)
184
TPSA
May have limited oral absorption
4
H-Bond Donors
8
H-Bond Acceptors
702
Complexity
SMILES
Canonical SMILES
SMILES: CC1C(=O)NC2CSSCCC=CC(CC(=O)N1)OC(=O)CC(C(NC2=O)C(C)C)OIsomeric SMILES
SMILES: C[C@@H]1C(=O)N[C@@H]2CSSCC/C=C/[C@H](CC(=O)N1)OC(=O)C[C@@H]([C@H](NC2=O)C(C)C)OSynonyms(20)
spiruchostatin AOBP-801328548-11-430Q3VS5HZ4YM-753DTXSID301029731RefChem:167398HDAC Inhibitor OBP-801DTXCID001514931YM753Histone Deacetylase Inhibitor OBP-801(1S,5S,6R,9S,15E,20R)-5-hydroxy-20-methyl-6-(propan-2-yl)-2-oxa-11,12-dithia-7,19,22-triazabicyclo(7.7.6)docos-15-ene-3,8,18,21-tetroneUNII-30Q3VS5HZ4YM 753(1S,5S,6R,9S,15E,20R)-5-hydroxy-20-methyl-6-propan-2-yl-2-oxa-11,12-dithia-7,19,22-triazabicyclo[7.7.6]docos-15-ene-3,8,18,21-tetrone
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Obp-801
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