(2S,4R)-1-((S)-2-(5-(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)pentanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide

ID: ALA5266052

Chembl Id: CHEMBL5266052

Max Phase: Preclinical

Molecular Formula: C63H79N11O9S

Molecular Weight: 1166.46

Names and Identifiers

Canonical SMILES:  COc1cc(CCc2cc(NC(=O)c3ccc(N4C[C@@H](C)N(CC(=O)N/N=C\c5ccc(OCCCCC(=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/C63H79N11O9S/c1-39-34-72(49-23-20-47(21-24-49)60(78)67-55-30-48(69-70-55)22-13-44-28-52(81-8)32-53(29-44)82-9)35-40(2)73(39)37-57(77)71-65-33-43-14-25-51(26-15-43)83-27-11-10-12-56(76)68-59(63(5,6)7)62(80)74-36-50(75)31-54(74)61(79)66-41(3)45-16-18-46(19-17-45)58-42(4)64-38-84-58/h14-21,23-26,28-30,32-33,38-41,50,54,59,75H,10-13,22,27,31,34-37H2,1-9H3,(H,66,79)(H,68,76)(H,71,77)(H2,67,69,70,78)/b65-33-/t39-,40+,41-,50+,54-,59+/m0/s1

Standard InChI Key:  JSACESHBYOQWEJ-MIKSQFANSA-N

Alternative Forms

1. Parent:

   

   ALA5266052

   ---

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: 1166.46

Molecular Weight (Monoisotopic): 1165.5783

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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