Chrondramide 15

Details

• Internal ID: 93a63fe4-796c-4be7-8978-a5c36711f24e
• Taxonomy: Organic acids and derivatives > Peptidomimetics > Hybrid peptides
• IUPAC Name: (3S,7R,10S,13S,15Z,17S,18R)-4-(3-chloro-4-hydroxyphenyl)-7-[(2-chloro-1H-indol-3-yl)methyl]-3-hydroxy-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone
• SMILES (Canonical): CC1CC(=CC(C(OC(=O)C(C(NC(=O)C(N(C(=O)C(NC1=O)C)C)CC2=C(NC3=CC=CC=C32)Cl)C4=CC(=C(C=C4)O)Cl)O)C)C)C
• SMILES (Isomeric): C[C@H]1C/C(=C\[C@@H]([C@H](OC(=O)[C@H](C(NC(=O)[C@H](N(C(=O)[C@@H](NC1=O)C)C)CC2=C(NC3=CC=CC=C32)Cl)C4=CC(=C(C=C4)O)Cl)O)C)C)/C
• InChI: InChI=1S/C35H42Cl2N4O7/c1-17-13-18(2)21(5)48-35(47)30(43)29(22-11-12-28(42)25(36)15-22)40-33(45)27(16-24-23-9-7-8-10-26(23)39-31(24)37)41(6)34(46)20(4)38-32(44)19(3)14-17/h7-13,15,18-21,27,29-30,39,42-43H,14,16H2,1-6H3,(H,38,44)(H,40,45)/b17-13-/t18-,19-,20-,21+,27+,29?,30-/m0/s1
• InChI Key: GRUNSOOAJGMTRC-NENBKXHHSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₅H₄₂Cl₂N₄O₇
• Molecular Weight: 701.60 g/mol
• Exact Mass: 700.2430551 g/mol
• Topological Polar Surface Area (TPSA): 161.00 Ų
• XlogP: 5.30

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	99.03%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	98.22%	95.56%
CHEMBL2581	P07339	Cathepsin D	97.87%	98.95%
CHEMBL5103	Q969S8	Histone deacetylase 10	95.72%	90.08%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.99%	96.09%
CHEMBL1806	P11388	DNA topoisomerase II alpha	93.39%	89.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	92.73%	94.45%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	92.38%	94.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	92.17%	97.09%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	92.08%	99.15%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	91.16%	91.71%
CHEMBL3401	O75469	Pregnane X receptor	89.22%	94.73%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	89.17%	85.14%
CHEMBL4208	P20618	Proteasome component C5	89.06%	90.00%
CHEMBL2094127	P06493	Cyclin-dependent kinase 1/cyclin B	88.53%	96.00%
CHEMBL1937	Q92769	Histone deacetylase 2	87.70%	94.75%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.25%	86.33%
CHEMBL255	P29275	Adenosine A2b receptor	86.79%	98.59%
CHEMBL3310	Q96DB2	Histone deacetylase 11	86.00%	88.56%
CHEMBL2095226	P05556	Integrin alpha-5/beta-1	85.39%	96.39%
CHEMBL217	P14416	Dopamine D2 receptor	85.09%	95.62%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	84.27%	86.92%
CHEMBL2335	P42785	Lysosomal Pro-X carboxypeptidase	83.69%	100.00%
CHEMBL2085	P14174	Macrophage migration inhibitory factor	82.49%	80.78%
CHEMBL2563	Q9UQL6	Histone deacetylase 5	81.46%	89.67%
CHEMBL213	P08588	Beta-1 adrenergic receptor	81.14%	95.56%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	80.67%	93.03%
CHEMBL2716	Q8WUI4	Histone deacetylase 7	80.43%	89.44%
CHEMBL1951	P21397	Monoamine oxidase A	80.33%	91.49%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.05%	95.89%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139585275
• LOTUS: LTS0067406
• wikiData: Q77387320