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

ID: ALA4800093

Chembl Id: CHEMBL4800093

PubChem CID: 162677304

Max Phase: Preclinical

Molecular Formula: C59H58ClN6NaO12

Molecular Weight: 1079.60

Molecule Type: Unknown

Names and Identifiers

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

Standard InChI:  InChI=1S/C59H59ClN6O12.Na/c1-34-35(2)55-40(26-44(56(55)70)37-11-4-5-12-37)27-50(34)77-30-36-10-8-13-38(24-36)39-15-20-49(45(25-39)59(73)74)78-33-53(68)63-23-9-22-62-52(67)31-76-32-54(69)64-41-16-18-43(46(60)28-41)57(71)66-47-19-17-42(29-51(47)75-3)65-58(72)48-14-6-7-21-61-48;/h6-8,10,13-21,24-25,27-29,37,44H,4-5,9,11-12,22-23,26,30-33H2,1-3H3,(H,62,67)(H,63,68)(H,64,69)(H,65,72)(H,66,71)(H,73,74);/q;+1/p-1

Standard InChI Key:  VQPSCVVIXDFHNZ-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: 1079.60

Molecular Weight (Monoisotopic): 1078.3879

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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