(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)acetyl)hydrazineylidene)methyl)phenoxy)acetamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide

ID: ALA5269194

Chembl Id: CHEMBL5269194

Max Phase: Preclinical

Molecular Formula: C60H73N11O9S

Molecular Weight: 1124.38

Names and Identifiers

Canonical SMILES:  COc1cc(CCc2cc(NC(=O)c3ccc(N4C[C@@H](C)N(CC(=O)N/N=C\c5ccc(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/C60H73N11O9S/c1-36-30-69(46-20-17-44(18-21-46)57(75)64-52-26-45(66-67-52)19-10-41-24-49(78-8)28-50(25-41)79-9)31-37(2)70(36)33-53(73)68-62-29-40-11-22-48(23-12-40)80-34-54(74)65-56(60(5,6)7)59(77)71-32-47(72)27-51(71)58(76)63-38(3)42-13-15-43(16-14-42)55-39(4)61-35-81-55/h11-18,20-26,28-29,35-38,47,51,56,72H,10,19,27,30-34H2,1-9H3,(H,63,76)(H,65,74)(H,68,73)(H2,64,66,67,75)/b62-29-/t36-,37+,38-,47+,51-,56+/m0/s1

Standard InChI Key:  AXGKLFFXLXIINS-KMTVTLQXSA-N

Alternative Forms

1. Parent:

   

   ALA5269194

   ---

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: 1124.38

Molecular Weight (Monoisotopic): 1123.5313

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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