N-[(2S,3R,4R,6R)-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylpropanamide

Details

• Internal ID: b6a0ac5f-b0bc-4343-b43d-dd1c9b067d4e
• Taxonomy: Organoheterocyclic compounds > Indoles and derivatives > Carbazoles > Pyrrolocarbazoles > Indolocarbazoles
• IUPAC Name: N-[(2S,3R,4R,6R)-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylpropanamide
• InChI: InChI=1S/C31H30N4O4/c1-5-22(36)33(3)21-14-23-34-19-12-8-6-10-16(19)25-26-18(15-32-30(26)37)24-17-11-7-9-13-20(17)35(28(24)27(25)34)31(2,39-23)29(21)38-4/h6-13,21,23,29H,5,14-15H2,1-4H3,(H,32,37)/t21-,23-,29-,31+/m1/s1
• InChI Key: SBDLCACXMABFME-AAVFBULHSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₁H₃₀N₄O₄
• Molecular Weight: 522.60 g/mol
• Exact Mass: 522.22670545 g/mol
• Topological Polar Surface Area (TPSA): 77.70 Ų
• XlogP: 3.60

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	99.38%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.87%	91.11%
CHEMBL2708	Q16584	Mitogen-activated protein kinase kinase kinase 11	98.87%	81.14%
CHEMBL4924	Q9UK32	Ribosomal protein S6 kinase alpha 6	98.24%	80.00%
CHEMBL2581	P07339	Cathepsin D	97.97%	98.95%
CHEMBL4598	Q13043	Serine/threonine-protein kinase MST1	97.92%	96.64%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	97.91%	85.14%
CHEMBL3830	Q2M2I8	Adaptor-associated kinase	97.85%	83.10%
CHEMBL2345	P51812	Ribosomal protein S6 kinase alpha 3	97.58%	95.64%
CHEMBL5600	P27448	Serine/threonine-protein kinase c-TAK1	97.57%	88.81%
CHEMBL3384	Q16512	Protein kinase N1	97.55%	80.71%
CHEMBL2801	Q13557	CaM kinase II delta	97.37%	84.49%
CHEMBL5408	Q9UHD2	Serine/threonine-protein kinase TBK1	97.00%	90.48%
CHEMBL2553	Q15418	Ribosomal protein S6 kinase alpha 1	96.75%	85.11%
CHEMBL2815	P04629	Nerve growth factor receptor Trk-A	96.64%	87.16%
CHEMBL4578	Q14680	Maternal embryonic leucine zipper kinase	96.44%	81.58%
CHEMBL1806	P11388	DNA topoisomerase II alpha	96.03%	89.00%
CHEMBL2964	P36507	Dual specificity mitogen-activated protein kinase kinase 2	95.77%	80.00%
CHEMBL255	P29275	Adenosine A2b receptor	95.38%	98.59%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.28%	95.56%
CHEMBL4237	O75582	Ribosomal protein S6 kinase alpha 5	95.27%	91.00%
CHEMBL5284	Q96RR4	CaM-kinase kinase beta	94.70%	89.23%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	94.31%	94.45%
CHEMBL3788	O00444	Serine/threonine-protein kinase PLK4	94.20%	83.65%
CHEMBL5678	P34947	G protein-coupled receptor kinase 5	94.13%	88.00%
CHEMBL1974	P36888	Tyrosine-protein kinase receptor FLT3	93.57%	91.83%
CHEMBL221	P23219	Cyclooxygenase-1	93.13%	90.17%
CHEMBL5103	Q969S8	Histone deacetylase 10	91.75%	90.08%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.67%	97.09%
CHEMBL4599	Q07912	Tyrosine kinase non-receptor protein 2	91.66%	94.29%
CHEMBL5608	Q16288	NT-3 growth factor receptor	91.65%	95.89%
CHEMBL4895	P30530	Tyrosine-protein kinase receptor UFO	91.47%	90.95%
CHEMBL2041	P07949	Tyrosine-protein kinase receptor RET	91.37%	91.79%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	90.70%	93.03%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	90.58%	94.00%
CHEMBL1868	P17948	Vascular endothelial growth factor receptor 1	90.30%	96.47%
CHEMBL253	P34972	Cannabinoid CB2 receptor	89.22%	97.25%
CHEMBL3476	O15111	Inhibitor of nuclear factor kappa B kinase alpha subunit	88.81%	95.83%
CHEMBL3820	P35557	Hexokinase type IV	88.76%	91.96%
CHEMBL5314	Q06418	Tyrosine-protein kinase receptor TYRO3	87.56%	96.00%
CHEMBL2094127	P06493	Cyclin-dependent kinase 1/cyclin B	87.00%	96.00%
CHEMBL3192	Q9BY41	Histone deacetylase 8	86.93%	93.99%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.16%	86.33%
CHEMBL2535	P11166	Glucose transporter	85.95%	98.75%
CHEMBL4208	P20618	Proteasome component C5	85.81%	90.00%
CHEMBL2534	O15530	3-phosphoinositide dependent protein kinase-1	85.51%	95.36%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	85.19%	91.07%
CHEMBL4630	O14757	Serine/threonine-protein kinase Chk1	83.57%	97.03%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.72%	99.23%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	82.57%	97.14%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	82.20%	92.62%
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	82.13%	85.30%
CHEMBL5469	Q14289	Protein tyrosine kinase 2 beta	80.57%	91.03%
CHEMBL6167	O95835	Serine/threonine-protein kinase LATS1	80.34%	98.33%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 163113371
• LOTUS: LTS0239971
• wikiData: Q105249338