(2R)-N-[(1R)-2-[[(1R)-5-amino-1-[[(1R,2R)-1-[[(1R)-2-[[(1R)-1-[[(1R,2R)-1-[[(1R)-2-[[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-4-guanidino-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]pentyl]amino]-1-cyclohexyl-2-oxo-ethyl]-2-[[(2R,3R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-2-cyclohexyl-acetyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-pentanoyl]amino]pentanediamide

ID: ALA5085541

PubChem CID: 166631927

Max Phase: Preclinical

Molecular Formula: C114H173N29O19

Molecular Weight: 2253.82

Molecule Type: Unknown

This compound is available for customization.

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: CC[C@@H](C)[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](N)CC(C)C)C1CCCCC1)[C@H](C)CC)C1CCCCC1)[C@H](C)CC)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O

Standard InChI: InChI=1S/C114H173N29O19/c1-9-64(6)92(141-106(156)89(58-72-61-128-80-39-23-20-36-76(72)80)135-107(157)90(62-144)138-99(149)81(40-24-26-50-115)131-111(161)95(68-30-14-12-15-31-68)142-102(152)83(42-28-52-124-113(120)121)129-98(148)77(117)54-63(4)5)108(158)133-85(48-49-91(118)146)103(153)143-96(69-32-16-13-17-33-69)112(162)132-82(41-25-27-51-116)100(150)139-94(66(8)11-3)110(160)137-88(57-71-60-127-79-38-22-19-35-75(71)79)105(155)130-84(43-29-53-125-114(122)123)101(151)140-93(65(7)10-2)109(159)136-87(55-67-44-46-73(145)47-45-67)104(154)134-86(97(119)147)56-70-59-126-78-37-21-18-34-74(70)78/h18-23,34-39,44-47,59-61,63-66,68-69,77,81-90,92-96,126-128,144-145H,9-17,24-33,40-43,48-58,62,115-117H2,1-8H3,(H2,118,146)(H2,119,147)(H,129,148)(H,130,155)(H,131,161)(H,132,162)(H,133,158)(H,134,154)(H,135,157)(H,136,159)(H,137,160)(H,138,149)(H,139,150)(H,140,151)(H,141,156)(H,142,152)(H,143,153)(H4,120,121,124)(H4,122,123,125)/t64-,65-,66-,77-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,92-,93-,94-,95-,96-/m1/s1

Standard InChI Key: UMBPBCDWRZZQNW-JLBMDJRRSA-N

Molfile:

 
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117162  2  0
M  END

Natural Product: No	Oral: No	Chemical Probe: No	Parenteral: No
Molecule Type: Unknown	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: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 2253.82	Molecular Weight (Monoisotopic): 2252.3463	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. Takayama K, Hitachi K, Okamoto H, Saitoh M, Odagiri M, Ohfusa R, Shimada T, Taguchi A, Taniguchi A, Tsuchida K, Hayashi Y.. (2022) Development of Myostatin Inhibitory d-Peptides to Enhance the Potency, Increasing Skeletal Muscle Mass in Mice., 13 (3.0): [PMID:35300091] [10.1021/acsmedchemlett.1c00705]

Names and Identifiers

Alternative Forms

Associated Targets(Human)

Molecule Features

Drug Indications

Mechanisms of Action

Calculated Properties

References

Source