PPKLGQIGRAKRVVI

ID: ALA2335464

PubChem CID: 71654546

Max Phase: Preclinical

Molecular Formula: C74H134N24O17

Molecular Weight: 1632.04

Molecule Type: Protein

This compound is available for customization.

Associated Items:

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)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](C)CC)C(C)C)C(C)C)C(=O)O

Standard InChI:  InChI=1S/C74H134N24O17/c1-12-42(9)58(96-66(108)49(28-29-53(77)99)89-54(100)37-85-61(103)51(36-39(3)4)93-64(106)47(23-15-17-31-76)92-67(109)52-27-21-35-98(52)71(113)50-26-20-32-82-50)68(110)86-38-55(101)88-45(24-18-33-83-73(78)79)62(104)87-44(11)60(102)90-46(22-14-16-30-75)63(105)91-48(25-19-34-84-74(80)81)65(107)94-56(40(5)6)69(111)95-57(41(7)8)70(112)97-59(72(114)115)43(10)13-2/h39-52,56-59,82H,12-38,75-76H2,1-11H3,(H2,77,99)(H,85,103)(H,86,110)(H,87,104)(H,88,101)(H,89,100)(H,90,102)(H,91,105)(H,92,109)(H,93,106)(H,94,107)(H,95,111)(H,96,108)(H,97,112)(H,114,115)(H4,78,79,83)(H4,80,81,84)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,56-,57-,58-,59-/m0/s1

Standard InChI Key:  DEYSBEKYTBBEDX-VGFPVJMBSA-N

Molfile:  

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M  END

Associated Targets(Human)

CAMK2A Tchem CaM kinase II alpha (1938 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: ProteinTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 1632.04Molecular Weight (Monoisotopic): 1631.0359AlogP: #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]

Source