Lasiodipline A

Details

• Internal ID: 84294981-7217-4cc0-8357-58d853251464
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives
• IUPAC Name: (3R,6S)-1,6-dimethyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione
• SMILES (Canonical): CC1(C(=O)NC(C(=O)N1C)SC)SC
• SMILES (Isomeric): C[C@@]1(C(=O)N[C@@H](C(=O)N1C)SC)SC
• InChI: InChI=1S/C8H14N2O2S2/c1-8(14-4)7(12)9-5(13-3)6(11)10(8)2/h5H,1-4H3,(H,9,12)/t5-,8+/m1/s1
• InChI Key: WCPLIKLNRAJXLF-XRGYYRRGSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₈H₁₄N₂O₂S₂
• Molecular Weight: 234.30 g/mol
• Exact Mass: 234.04967004 g/mol
• Topological Polar Surface Area (TPSA): 100.00 Ų
• XlogP: 0.60

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.67%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.47%	95.56%
CHEMBL253	P34972	Cannabinoid CB2 receptor	90.05%	97.25%
CHEMBL2581	P07339	Cathepsin D	89.79%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.89%	94.45%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	86.52%	85.14%
CHEMBL1937	Q92769	Histone deacetylase 2	85.09%	94.75%
CHEMBL4072	P07858	Cathepsin B	82.93%	93.67%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	81.89%	93.40%
CHEMBL255	P29275	Adenosine A2b receptor	80.61%	98.59%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139583413
• LOTUS: LTS0061185
• wikiData: Q75062158