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Name And Identifier

ID: ALA1774159

Max Phase: Preclinical

Molecular Formula: C70H100N14O6

Molecular Weight: 1233.66

Molecule Type: Small molecule

Representations

Molfile:

Canonical SMILES:

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Standard InChI:

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Standard InChI Key:

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Alternative Forms

  1. Parent:

    ALA1774159

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Molecule Features

Natural Product: NoChemical Probe: No
Molecule Type: Small moleculeFirst In Class: No
Chirality: NoProdrug: No
Oral: NoParenteral: No
Topical: NoBlack Box: No
Availability: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for Indication

Mechanisms of Action

Mechanism of ActionAction TypeTarget NameTarget TypeTarget OrganismBinding Site Name

Activity Summary

Bioactivity SummaryCount
Ki5
IC506
Activity1
Assay SummaryCount
B-Binding10
F-Functional2

Properties

Molecular Weight: 1233.66Molecular Weight (Monoisotopic): 1232.7950
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. Sun H, Liu L, Lu J, Bai L, Li X, Nikolovska-Coleska Z, McEachern D, Yang CY, Qiu S, Yi H, Sun D, Wang S..  (2011)  Potent bivalent Smac mimetics: effect of the linker on binding to inhibitor of apoptosis proteins (IAPs) and anticancer activity.,  54  (9):   [PMID:21462933]

Source

Source(1):

  • Scientific Literature