sodium 4-(2-(8-(2-(2-(3-chloro-4-(2-methoxy-4-(picolinamido)phenylcarbamoyl)phenylamino)-2-oxoethoxy)acetamido)octylamino)-2-oxoethoxy)-3'-((2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yloxy)methyl)biphenyl-3-carboxylate

ID: ALA4740929

Chembl Id: CHEMBL4740929

PubChem CID: 162646758

Max Phase: Preclinical

Molecular Formula: C64H68ClN6NaO12

Molecular Weight: 1149.74

Molecule Type: Unknown

Names and Identifiers

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

Standard InChI:  InChI=1S/C64H69ClN6O12.Na/c1-39-40(2)60-45(31-49(61(60)75)42-16-8-9-17-42)32-55(39)82-35-41-15-14-18-43(29-41)44-20-25-54(50(30-44)64(78)79)83-38-58(73)68-28-12-7-5-4-6-11-27-67-57(72)36-81-37-59(74)69-46-21-23-48(51(65)33-46)62(76)71-52-24-22-47(34-56(52)80-3)70-63(77)53-19-10-13-26-66-53;/h10,13-15,18-26,29-30,32-34,42,49H,4-9,11-12,16-17,27-28,31,35-38H2,1-3H3,(H,67,72)(H,68,73)(H,69,74)(H,70,77)(H,71,76)(H,78,79);/q;+1/p-1

Standard InChI Key:  QPXFNSNFPVFVKG-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: 1149.74

Molecular Weight (Monoisotopic): 1148.4662

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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