RKQEEDEDEEQQRE

ID: ALA2165410

Max Phase: Preclinical

Molecular Formula: C71H114N24O34

Molecular Weight: 1847.83

Molecule Type: Protein

This compound is available for customization.

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O

Standard InChI: InChI=1S/C71H114N24O34/c72-26-2-1-6-32(83-56(115)31(73)5-3-27-81-70(77)78)57(116)85-35(9-18-46(75)97)61(120)88-38(12-21-49(101)102)63(122)90-40(14-23-51(105)106)65(124)94-44(30-55(113)114)68(127)92-41(15-24-52(107)108)66(125)95-43(29-54(111)112)67(126)91-39(13-22-50(103)104)64(123)89-37(11-20-48(99)100)62(121)87-36(10-19-47(76)98)60(119)86-34(8-17-45(74)96)59(118)84-33(7-4-28-82-71(79)80)58(117)93-42(69(128)129)16-25-53(109)110/h31-44H,1-30,72-73H2,(H2,74,96)(H2,75,97)(H2,76,98)(H,83,115)(H,84,118)(H,85,116)(H,86,119)(H,87,121)(H,88,120)(H,89,123)(H,90,122)(H,91,126)(H,92,127)(H,93,117)(H,94,124)(H,95,125)(H,99,100)(H,101,102)(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,128,129)(H4,77,78,81)(H4,79,80,82)/t31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1

Standard InChI Key: ZXORLLJNASICEY-FACPCSDQSA-N

Molfile:

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M  END

Natural Product: No	Oral: No	Chemical Probe: No	Parenteral: No
Molecule Type: Protein	Topical: No	First In Class: No	Black Box: No
Chirality: No	Availability: No	Prodrug: No

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Protein

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1847.83	Molecular Weight (Monoisotopic): 1846.7929	AlogP: ┄	#Rotatable Bonds: ┄
Polar Surface Area: ┄	Molecular Species: ┄	HBA: ┄	HBD: ┄
#RO5 Violations: ┄	HBA (Lipinski): ┄	HBD (Lipinski): ┄	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: ┄	CX Basic pKa: ┄	CX LogP: ┄	CX LogD: ┄
Aromatic Rings: ┄	Heavy Atoms: ┄	QED Weighted: ┄	Np Likeness Score: ┄

References

1. Abramson HN.. (2011) The lipogenesis pathway as a cancer target., 54 (16): [PMID:21726077] [10.1021/jm2005805]
2. and Abramson, Hanley N HN. 2011-08-25 The lipogenesis pathway as a cancer target. [PMID:21726077]
3. and Abdel-Magid, Ahmed F AF. 2015-08-13 Fatty Acid Synthase (FASN) Inhibitors as Potential Treatment for Cancer, Obesity, and Liver Related Disorders. [PMID:26288680]
4. Mullen, Genevieve E GE and Yet, Larry L. 2015-10-15 Progress in the development of fatty acid synthase inhibitors as anticancer targets. [PMID:26364942]
5. Zhu, Mingzhao and 19 more authors. 2017-06-01 A strategy for dual inhibition of the proteasome and fatty acid synthase with belactosin C-orlistat hybrids. [PMID:28236510]

RKQEEDEDEEQQRE

Names and Identifiers

Alternative Forms

Associated Targets(Human)

Associated Targets(non-human)

Molecule Features

Drug Indications

Mechanisms of Action

Biocomponents

Calculated Properties

References

Source