(2S,4R)-1-((S)-2-(tert-butyl)-14-(4-((2-(2-((2R,6S)-4-(4-((5-(3,5-dimethoxyphenethyl)-1H-pyrazol-3-yl)carbamoyl)phenyl)-2,6-dimethylpiperazin-1-yl)acetyl)hydrazineylidene)methyl)phenoxy)-4-oxo-6,9,12-trioxa-3-azatetradecanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide

ID: ALA5280164

Chembl Id: CHEMBL5280164

Max Phase: Preclinical

Molecular Formula: C66H85N11O12S

Molecular Weight: 1256.54

Names and Identifiers

Canonical SMILES:  COc1cc(CCc2cc(NC(=O)c3ccc(N4C[C@@H](C)N(CC(=O)N/N=C/c5ccc(OCCOCCOCCOCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)c6ccc(-c7scnc7C)cc6)C(C)(C)C)cc5)[C@@H](C)C4)cc3)n[nH]2)cc(OC)c1

Standard InChI:  InChI=1S/C66H85N11O12S/c1-42-36-75(52-20-17-50(18-21-52)63(81)70-58-32-51(72-73-58)19-10-47-30-55(84-8)34-56(31-47)85-9)37-43(2)76(42)39-59(79)74-68-35-46-11-22-54(23-12-46)89-29-28-87-25-24-86-26-27-88-40-60(80)71-62(66(5,6)7)65(83)77-38-53(78)33-57(77)64(82)69-44(3)48-13-15-49(16-14-48)61-45(4)67-41-90-61/h11-18,20-23,30-32,34-35,41-44,53,57,62,78H,10,19,24-29,33,36-40H2,1-9H3,(H,69,82)(H,71,80)(H,74,79)(H2,70,72,73,81)/b68-35+/t42-,43+,44-,53+,57-,62+/m0/s1

Standard InChI Key:  WWMGOBCRJJJMFG-ADPFXRTASA-N

Alternative Forms

1. Parent:

   

   ALA5280164

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1256.54

Molecular Weight (Monoisotopic): 1255.6100

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References

1. Guo L, Liu J, Nie X, Wang T, Ma ZX, Yin D, Tang W..  (2022)  Development of selective FGFR1 degraders using a Rapid synthesis of proteolysis targeting Chimera (Rapid-TAC) platform.,  75  [PMID:36096343] [10.1016/j.bmcl.2022.128982]

Source

Source(1):

• Scientific Literature