sodium 4-(2-(6-(2-(2-(3-chloro-4-(2-methoxy-4-(picolinamido)phenylcarbamoyl)phenylamino)-2-oxoethoxy)acetamido)hexylamino)-2-oxoethoxy)-3'-((2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yloxy)methyl)biphenyl-3-carboxylate

ID: ALA4762369

Chembl Id: CHEMBL4762369

PubChem CID: 162660655

Max Phase: Preclinical

Molecular Formula: C62H64ClN6NaO12

Molecular Weight: 1121.68

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  COc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccc(NC(=O)COCC(=O)NCCCCCCNC(=O)COc2ccc(-c3cccc(COc4cc5c(c(C)c4C)C(=O)C(C4CCCC4)C5)c3)cc2C(=O)[O-])cc1Cl.[Na+]

Standard InChI:  InChI=1S/C62H65ClN6O12.Na/c1-37-38(2)58-43(29-47(59(58)73)40-14-6-7-15-40)30-53(37)80-33-39-13-12-16-41(27-39)42-18-23-52(48(28-42)62(76)77)81-36-56(71)66-26-10-5-4-9-25-65-55(70)34-79-35-57(72)67-44-19-21-46(49(63)31-44)60(74)69-50-22-20-45(32-54(50)78-3)68-61(75)51-17-8-11-24-64-51;/h8,11-13,16-24,27-28,30-32,40,47H,4-7,9-10,14-15,25-26,29,33-36H2,1-3H3,(H,65,70)(H,66,71)(H,67,72)(H,68,75)(H,69,74)(H,76,77);/q;+1/p-1

Standard InChI Key:  KWILOUBHBQWVNT-UHFFFAOYSA-M

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1121.68

Molecular Weight (Monoisotopic): 1120.4349

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References

1. Fulton MG,Loch MT,Rodriguez AL,Lin X,Javitch JA,Conn PJ,Niswender CM,Lindsley CW.  (2020)  Synthesis and pharmacological evaluation of bivalent tethered ligands to target the mGlu heterodimeric receptor results in a compound with mGlu homodimer selectivity.,  30  (13): [PMID:32371100] [10.1016/j.bmcl.2020.127212]

Source

Source(1):

• Scientific Literature