Cyclizidine D

Details

• Internal ID: 2d2dc12e-c3ed-4ffb-a7cf-028fecc85c7f
• Taxonomy: Organoheterocyclic compounds > Indolizidines
• IUPAC Name: (1S,2S,3S,7S,8S,8aR)-7-chloro-3-[(1E,3E)-4-cyclopropyl-2-methylbuta-1,3-dienyl]-1-methyl-3,5,6,7,8,8a-hexahydro-2H-indolizine-1,2,8-triol
• InChI: InChI=1S/C17H26ClNO3/c1-10(3-4-11-5-6-11)9-13-16(21)17(2,22)15-14(20)12(18)7-8-19(13)15/h3-4,9,11-16,20-22H,5-8H2,1-2H3/b4-3+,10-9+/t12-,13-,14+,15+,16-,17-/m0/s1
• InChI Key: PQDKGJMNGJEHQN-FENXDROVSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₂₆ClNO₃
• Molecular Weight: 327.80 g/mol
• Exact Mass: 327.1601214 g/mol
• Topological Polar Surface Area (TPSA): 63.90 Ų
• XlogP: 1.90

Synonyms

• Cyclizidine D
• BDBM50286629

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	94.28%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.04%	91.11%
CHEMBL2581	P07339	Cathepsin D	92.56%	98.95%
CHEMBL5608	Q16288	NT-3 growth factor receptor	88.95%	95.89%
CHEMBL1994	P08235	Mineralocorticoid receptor	87.00%	100.00%
CHEMBL1937	Q92769	Histone deacetylase 2	84.60%	94.75%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	84.50%	93.40%
CHEMBL253	P34972	Cannabinoid CB2 receptor	83.73%	97.25%
CHEMBL1951	P21397	Monoamine oxidase A	83.53%	91.49%
CHEMBL3492	P49721	Proteasome Macropain subunit	82.82%	90.24%
CHEMBL241	Q14432	Phosphodiesterase 3A	82.75%	92.94%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	81.75%	98.33%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	80.36%	95.50%
CHEMBL1871	P10275	Androgen Receptor	80.26%	96.43%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139589902
• LOTUS: LTS0190699
• wikiData: Q105213187