Cyclopiamide

Details

• Internal ID: 3c87f69b-aef3-49a0-a9b4-6a415a31e1bd
• Taxonomy: Organoheterocyclic compounds > Isoindoles and derivatives > Isoindolines > Isoindolones
• IUPAC Name: 5,5,13-trimethyl-4,13-diazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7,9,11-pentaene-3,14-dione
• InChI: InChI=1S/C16H14N2O2/c1-16(2)9-7-8-5-4-6-10-11(8)13(15(20)18(10)3)12(9)14(19)17-16/h4-7H,1-3H3,(H,17,19)
• InChI Key: HLFQVBSECSOJNP-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₄N₂O₂
• Molecular Weight: 266.29 g/mol
• Exact Mass: 266.105527694 g/mol
• Topological Polar Surface Area (TPSA): 49.40 Ų
• XlogP: 1.70

Synonyms

• 126382-02-3
• CHEMBL4081646
• DTXSID90155174
• NSC802510
• NSC-802510

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
CHEMBL4040	P28482	MAP kinase ERK2	98.78%	83.82%
CHEMBL2581	P07339	Cathepsin D	97.25%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.46%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	92.59%	86.33%
CHEMBL1937	Q92769	Histone deacetylase 2	90.34%	94.75%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.84%	94.45%
CHEMBL3192	Q9BY41	Histone deacetylase 8	89.60%	93.99%
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	88.99%	85.30%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	88.82%	94.00%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	88.59%	82.69%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.07%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.02%	91.11%
CHEMBL2378	P30307	Dual specificity phosphatase Cdc25C	85.90%	96.67%
CHEMBL2553	Q15418	Ribosomal protein S6 kinase alpha 1	85.41%	85.11%
CHEMBL2095226	P05556	Integrin alpha-5/beta-1	84.86%	96.39%
CHEMBL230	P35354	Cyclooxygenase-2	83.23%	89.63%
CHEMBL228	P31645	Serotonin transporter	81.94%	95.51%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.88%	99.23%
CHEMBL2335	P42785	Lysosomal Pro-X carboxypeptidase	80.39%	100.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 180420
• LOTUS: LTS0078324
• wikiData: Q83022936