ID: ALA5284705

Max Phase: Preclinical

Molecular Formula: C63H76N10O14

Molecular Weight: 1197.36

Representations

Canonical SMILES:  COc1cc(CCc2cc(NC(=O)c3ccc(N4C[C@@H](C)N(CC(=O)N/N=C/c5ccc(OCCOCCOCCOCCOCCOCC(=O)NCC#Cc6cccc7c6CN(C6CCC(=O)NC6=O)C7=O)cc5)[C@@H](C)C4)cc3)n[nH]2)cc(OC)c1

Standard InChI:  InChI=1S/C63H76N10O14/c1-43-38-71(50-16-13-48(14-17-50)61(77)66-57-35-49(68-69-57)15-10-46-33-52(80-3)36-53(34-46)81-4)39-44(2)72(43)41-59(75)70-65-37-45-11-18-51(19-12-45)87-32-31-85-28-27-83-24-23-82-25-26-84-29-30-86-42-60(76)64-22-6-8-47-7-5-9-54-55(47)40-73(63(54)79)56-20-21-58(74)67-62(56)78/h5,7,9,11-14,16-19,33-37,43-44,56H,10,15,20-32,38-42H2,1-4H3,(H,64,76)(H,70,75)(H,67,74,78)(H2,66,68,69,77)/b65-37+/t43-,44+,56?

Standard InChI Key:  UWZISXFYDWXMAK-ZNYNUWIESA-N

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

Properties

Molecular Weight: 1197.36

Molecular Weight (Monoisotopic): 1196.5542

AlogP:

#Rotatable Bonds:

Polar Surface Area:

Molecular Species:

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

CX LogP:

CX LogD:

Aromatic Rings:

Heavy Atoms:

QED Weighted:

Np Likeness Score:

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