GLPTGG

ID: ALA261334

Chembl Id: CHEMBL261334

PubChem CID: 25254901

Max Phase: Preclinical

Molecular Formula: C21H36N6O8

Molecular Weight: 500.55

Molecule Type: Protein

Associated Items:

Names and Identifiers

Canonical SMILES:  CC(C)C[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)O)[C@@H](C)O

Standard InChI:  InChI=1S/C21H36N6O8/c1-11(2)7-13(25-15(29)8-22)21(35)27-6-4-5-14(27)19(33)26-18(12(3)28)20(34)24-9-16(30)23-10-17(31)32/h11-14,18,28H,4-10,22H2,1-3H3,(H,23,30)(H,24,34)(H,25,29)(H,26,33)(H,31,32)/t12-,13+,14+,18+/m1/s1

Standard InChI Key:  FYPRIKVHHVQETD-COJSNBRMSA-N

Alternative Forms

  1. Parent:

    ALA261334

    Glptgg

Associated Targets(Human)

HMGCR Tclin HMG-CoA reductase (2475 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

HMGCR 3-hydroxy-3-methylglutaryl-coenzyme A reductase (17 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: 500.55Molecular Weight (Monoisotopic): 500.2595AlogP: -3.35#Rotatable Bonds: 13
Polar Surface Area: 220.26Molecular Species: ACIDHBA: 8HBD: 7
#RO5 Violations: 2HBA (Lipinski): 14HBD (Lipinski): 8#RO5 Violations (Lipinski): 3
CX Acidic pKa: 3.43CX Basic pKa: 7.84CX LogP: -6.34CX LogD: -6.46
Aromatic Rings: Heavy Atoms: 35QED Weighted: 0.13Np Likeness Score: -0.35

References

1. Pak VV, Koo M, Kim MJ, Yun L, Kwon DY..  (2008)  Binding effect and design of a competitive inhibitory peptide for HMG-CoA reductase through modeling of an active peptide backbone.,  16  (3): [PMID:17977732] [10.1016/j.bmc.2007.10.064]
2. Pak VV, Koo M, Kwon DY, Shakhidoyatov KM, Yun L..  (2010)  Peptide fragmentation as an approach in modeling of an active peptide and designing a competitive inhibitory peptide for HMG-CoA reductase.,  18  (12): [PMID:20494585] [10.1016/j.bmc.2010.04.090]

Source