(2S,4R)-1-((S)-2-(tert-butyl)-17-(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)-4-oxo-6,9,12,15-tetraoxa-3-azaheptadecanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide

ID: ALA5275984

Chembl Id: CHEMBL5275984

Max Phase: Preclinical

Molecular Formula: C68H89N11O13S

Molecular Weight: 1300.59

Names and Identifiers

Canonical SMILES:  COc1cc(CCc2cc(NC(=O)c3ccc(N4C[C@@H](C)N(CC(=O)N/N=C/c5ccc(OCCOCCOCCOCCOCC(=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/C68H89N11O13S/c1-44-38-77(54-20-17-52(18-21-54)65(83)72-60-34-53(74-75-60)19-10-49-32-57(86-8)36-58(33-49)87-9)39-45(2)78(44)41-61(81)76-70-37-48-11-22-56(23-12-48)92-31-30-90-27-26-88-24-25-89-28-29-91-42-62(82)73-64(68(5,6)7)67(85)79-40-55(80)35-59(79)66(84)71-46(3)50-13-15-51(16-14-50)63-47(4)69-43-93-63/h11-18,20-23,32-34,36-37,43-46,55,59,64,80H,10,19,24-31,35,38-42H2,1-9H3,(H,71,84)(H,73,82)(H,76,81)(H2,72,74,75,83)/b70-37+/t44-,45+,46-,55+,59-,64+/m0/s1

Standard InChI Key:  CXHXJHCIVSXXMN-WRIZXYHHSA-N

Alternative Forms

1. Parent:

   

   ALA5275984

   ---

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: 1300.59

Molecular Weight (Monoisotopic): 1299.6362

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CX Acidic pKa: ┄

CX Basic pKa: ┄

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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