Azumamide C

Details

• Internal ID: 0094db69-e87b-4cc6-984a-e7ee48a6c524
• Taxonomy: Organic acids and derivatives > Peptidomimetics > Hybrid peptides
• IUPAC Name: (Z)-6-[(2R,5R,8R,11R,12S)-8-[(4-hydroxyphenyl)methyl]-5,12-dimethyl-3,6,9,13-tetraoxo-2-propan-2-yl-1,4,7,10-tetrazacyclotridec-11-yl]hex-4-enoic acid
• InChI: InChI=1S/C27H38N4O7/c1-15(2)23-27(38)28-17(4)25(36)30-21(14-18-10-12-19(32)13-11-18)26(37)29-20(16(3)24(35)31-23)8-6-5-7-9-22(33)34/h5-6,10-13,15-17,20-21,23,32H,7-9,14H2,1-4H3,(H,28,38)(H,29,37)(H,30,36)(H,31,35)(H,33,34)/b6-5-/t16-,17+,20+,21+,23+/m0/s1
• InChI Key: QKNOLJBQLJGNKI-LFUPQXEOSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₇H₃₈N₄O₇
• Molecular Weight: 530.60 g/mol
• Exact Mass: 530.27404956 g/mol
• Topological Polar Surface Area (TPSA): 174.00 Ų
• XlogP: 2.10

Synonyms

• CHEMBL257972
• BDBM50377384

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL325	Q13547	Histone deacetylase 1	20 nM	Ki	via Super-PRED
CHEMBL5103	Q969S8	Histone deacetylase 10	10 nM	Ki	via Super-PRED
CHEMBL3310	Q96DB2	Histone deacetylase 11	35 nM	Ki	via Super-PRED
CHEMBL1937	Q92769	Histone deacetylase 2	10 nM	Ki	via Super-PRED
CHEMBL3038484	O15379	Histone deacetylase 3/NCoR1	14 nM	Ki	via Super-PRED
CHEMBL2111363	O15379	Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)	9.67 nM	Ki	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2581	P07339	Cathepsin D	98.88%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	95.19%	94.45%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.30%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.40%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	90.62%	99.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.02%	95.56%
CHEMBL1949	P62937	Cyclophilin A	89.66%	98.57%
CHEMBL253	P34972	Cannabinoid CB2 receptor	89.61%	97.25%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	86.89%	90.93%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	86.61%	93.10%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	84.94%	91.71%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	81.77%	90.71%
CHEMBL5852	Q96P65	Pyroglutamylated RFamide peptide receptor	81.40%	85.00%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	80.22%	99.15%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 16095114
• LOTUS: LTS0190773
• wikiData: Q105223223