ID: ALA3975591

Max Phase: Preclinical

Molecular Formula: C52H64Cl4N6O8S2

Molecular Weight: 1107.06

Molecule Type: Small molecule

Representations

Canonical SMILES:  CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCNCc3ccc(CNCCOCCOCCNS(=O)(=O)c4cccc(C5CN(C)Cc6c(Cl)cc(Cl)cc65)c4)cc3)c2)C1

Standard InChI:  InChI=1S/C52H64Cl4N6O8S2/c1-61-33-47(45-27-41(53)29-51(55)49(45)35-61)39-5-3-7-43(25-39)71(63,64)59-15-19-69-23-21-67-17-13-57-31-37-9-11-38(12-10-37)32-58-14-18-68-22-24-70-20-16-60-72(65,66)44-8-4-6-40(26-44)48-34-62(2)36-50-46(48)28-42(54)30-52(50)56/h3-12,25-30,47-48,57-60H,13-24,31-36H2,1-2H3

Standard InChI Key:  GHJHYXXAHHUUAG-UHFFFAOYSA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 1107.06

Molecular Weight (Monoisotopic): 1104.2981

AlogP:

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HBA:

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Np Likeness Score:

References

1.  (2013)  Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders, 

Source

Source(1):

• Patent Bioactivity Data