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

ID: ALA4786847

Chembl Id: CHEMBL4786847

PubChem CID: 162666878

Max Phase: Preclinical

Molecular Formula: C60H60ClN6NaO12

Molecular Weight: 1093.63

Molecule Type: Unknown

Names and Identifiers

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

Standard InChI:  InChI=1S/C60H61ClN6O12.Na/c1-35-36(2)56-41(27-45(57(56)71)38-12-4-5-13-38)28-51(35)78-31-37-11-10-14-39(25-37)40-16-21-50(46(26-40)60(74)75)79-34-54(69)64-24-9-8-23-63-53(68)32-77-33-55(70)65-42-17-19-44(47(61)29-42)58(72)67-48-20-18-43(30-52(48)76-3)66-59(73)49-15-6-7-22-62-49;/h6-7,10-11,14-22,25-26,28-30,38,45H,4-5,8-9,12-13,23-24,27,31-34H2,1-3H3,(H,63,68)(H,64,69)(H,65,70)(H,66,73)(H,67,72)(H,74,75);/q;+1/p-1

Standard InChI Key:  SXGDPJOAKAHEBJ-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: 1093.63

Molecular Weight (Monoisotopic): 1092.4036

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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