(2S,4R)-1-((S)-2-(2-(4-(2-(2-((2S,6R)-4-(4-((5-(3,5-dimethoxyphenethyl)-1H-pyrazol-3-yl)carbamoyl)phenyl)-2,6-dimethylpiperazin-1-yl)acetamido)ethyl)phenoxy)acetamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide

ID: ALA5272854

Chembl Id: CHEMBL5272854

Max Phase: Preclinical

Molecular Formula: C61H76N10O9S

Molecular Weight: 1125.41

Names and Identifiers

Canonical SMILES:  COc1cc(CCc2cc(NC(=O)c3ccc(N4C[C@@H](C)N(CC(=O)NCCc5ccc(OCC(=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/C61H76N10O9S/c1-37-31-69(47-20-17-45(18-21-47)58(75)65-53-28-46(67-68-53)19-10-42-26-50(78-8)30-51(27-42)79-9)32-38(2)70(37)34-54(73)62-25-24-41-11-22-49(23-12-41)80-35-55(74)66-57(61(5,6)7)60(77)71-33-48(72)29-52(71)59(76)64-39(3)43-13-15-44(16-14-43)56-40(4)63-36-81-56/h11-18,20-23,26-28,30,36-39,48,52,57,72H,10,19,24-25,29,31-35H2,1-9H3,(H,62,73)(H,64,76)(H,66,74)(H2,65,67,68,75)/t37-,38+,39-,48+,52-,57+/m0/s1

Standard InChI Key:  YTTVAAVPYIYNRH-HHNAXFNBSA-N

Alternative Forms

1. Parent:

   

   ALA5272854

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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: 1125.41

Molecular Weight (Monoisotopic): 1124.5517

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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