NA

ID: ALA4214535

Chembl Id: CHEMBL4214535

PubChem CID: 145972037

Max Phase: Preclinical

Molecular Formula: C60H68FN9O10

Molecular Weight: 1094.25

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CC[C@]1(NC(=O)N2Cc3ccc(NC(=O)c4ccncn4)cc3C2)C[C@H]2CN(CCc3c([nH]c4ccc(F)cc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1

Standard InChI:  InChI=1S/C60H68FN9O10/c1-8-56(66-55(75)70-30-36-11-13-39(23-37(36)31-70)64-49(72)45-15-19-62-33-63-45)27-35-28-59(53(73)78-6,48-40(16-21-68(29-35)32-56)41-24-38(61)12-14-44(41)65-48)43-25-42-46(26-47(43)77-5)67(4)51-58(42)18-22-69-20-10-17-57(9-2,50(58)69)52(80-34(3)71)60(51,76)54(74)79-7/h10-15,17,19,23-26,33,35,50-52,65,76H,8-9,16,18,20-22,27-32H2,1-7H3,(H,64,72)(H,66,75)/t35-,50+,51-,52-,56+,57-,58-,59+,60+/m1/s1

Standard InChI Key:  OFJFUHOXGPFZMG-FIIYAEKMSA-N

Alternative Forms

1. Parent:

   

   ALA4214535

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1094.25

Molecular Weight (Monoisotopic): 1093.5073

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References

1. Radakovic A, Boger DL..  (2018)  High expression of class III β-tubulin has no impact on functional cancer cell growth inhibition of a series of key vinblastine analogs.,  28  (5): [PMID:29439899] [10.1016/j.bmcl.2018.02.006]

Source

Source(1):

• Scientific Literature