KRPPKLAQIGRAKRVVI

ID: ALA2335478

PubChem CID: 71652225

Max Phase: Preclinical

Molecular Formula: C87H160N30O19

Molecular Weight: 1930.43

Molecule Type: Protein

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](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)[C@@H](C)CC)C(C)C)C(C)C)C(=O)O

Standard InChI: InChI=1S/C87H160N30O19/c1-13-49(9)67(79(130)102-45-64(119)105-54(29-21-39-99-85(93)94)72(123)103-51(11)69(120)106-55(27-16-19-37-89)73(124)108-57(30-22-40-100-86(95)96)75(126)112-65(47(5)6)80(131)113-66(48(7)8)81(132)115-68(84(135)136)50(10)14-2)114-76(127)58(34-35-63(92)118)107-70(121)52(12)104-77(128)60(44-46(3)4)111-74(125)56(28-17-20-38-90)109-78(129)61-32-24-42-116(61)83(134)62-33-25-43-117(62)82(133)59(31-23-41-101-87(97)98)110-71(122)53(91)26-15-18-36-88/h46-62,65-68H,13-45,88-91H2,1-12H3,(H2,92,118)(H,102,130)(H,103,123)(H,104,128)(H,105,119)(H,106,120)(H,107,121)(H,108,124)(H,109,129)(H,110,122)(H,111,125)(H,112,126)(H,113,131)(H,114,127)(H,115,132)(H,135,136)(H4,93,94,99)(H4,95,96,100)(H4,97,98,101)/t49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-,66-,67-,68-/m0/s1

Standard InChI Key: DFCSGDZZGUEQHK-ABVYQANSSA-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: 1930.43	Molecular Weight (Monoisotopic): 1929.2476	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. Gomez-Monterrey I, Sala M, Rusciano MR, Monaco S, Maione AS, Iaccarino G, Tortorella P, D'Ursi AM, Scrima M, Carotenuto A, De Rosa G, Bertamino A, Vernieri E, Grieco P, Novellino E, Illario M, Campiglia P.. (2013) Characterization of a selective CaMKII peptide inhibitor., 62 [PMID:23395965] [10.1016/j.ejmech.2012.12.053]

KRPPKLAQIGRAKRVVI

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