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

ID: ALA4748549

Chembl Id: CHEMBL4748549

PubChem CID: 162650302

Max Phase: Preclinical

Molecular Formula: C58H56ClN6NaO12

Molecular Weight: 1065.58

Molecule Type: Unknown

Names and Identifiers

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

Standard InChI:  InChI=1S/C58H57ClN6O12.Na/c1-33-34(2)54-39(25-43(55(54)69)36-10-4-5-11-36)26-49(33)76-29-35-9-8-12-37(23-35)38-14-19-48(44(24-38)58(72)73)77-32-52(67)62-22-21-61-51(66)30-75-31-53(68)63-40-15-17-42(45(59)27-40)56(70)65-46-18-16-41(28-50(46)74-3)64-57(71)47-13-6-7-20-60-47;/h6-9,12-20,23-24,26-28,36,43H,4-5,10-11,21-22,25,29-32H2,1-3H3,(H,61,66)(H,62,67)(H,63,68)(H,64,71)(H,65,70)(H,72,73);/q;+1/p-1

Standard InChI Key:  NECBCMFIAOCFKS-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: 1065.58

Molecular Weight (Monoisotopic): 1064.3723

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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