N1-(3-(3-(2-(5-(5-(5-(4-(2-(5-(5-(5-(3-(dimethylamino)propylcarbamoyl)-1-methyl-1H-pyrrol-3-ylcarbamoyl)-1-methyl-1H-pyrrol-3-ylcarbamoyl)-1-methyl-1H-pyrrol-3-ylcarbamoyl)-1-methyl-1H-imidazol-4-ylamino)-4-oxobutylcarbamoyl)-1-methyl-1H-pyrrol-3-ylcarbamoyl)-1-methyl-1H-pyrrol-3-ylcarbamoyl)-1-methyl-1H-pyrrol-3-ylcarbamoyl)-1-methyl-1H-imidazol-4-ylamino)-3-oxopropylamino)-3-oxopropyl)-N8-hydroxyoctanediamide

ID: ALA2396902

Chembl Id: CHEMBL2396902

PubChem CID: 71723449

Max Phase: Preclinical

Molecular Formula: C69H90N24O14

Molecular Weight: 1479.63

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nc(NC(=O)CCCNC(=O)c5cc(NC(=O)c6cc(NC(=O)c7cc(NC(=O)c8nc(NC(=O)CCNC(=O)CCNC(=O)CCCCCCC(=O)NO)cn8C)cn7C)cn6C)cn5C)cn4C)cn3C)cn2C)cn1C

Standard InChI:  InChI=1S/C69H90N24O14/c1-85(2)26-16-23-73-63(100)48-28-42(34-87(48)4)75-65(102)50-30-44(36-89(50)6)77-66(103)51-31-45(37-90(51)7)78-68(105)60-82-53(39-92(60)9)80-57(96)19-15-22-72-62(99)47-27-41(33-86(47)3)74-64(101)49-29-43(35-88(49)5)76-67(104)52-32-46(38-91(52)8)79-69(106)61-83-54(40-93(61)10)81-58(97)21-25-71-56(95)20-24-70-55(94)17-13-11-12-14-18-59(98)84-107/h27-40,107H,11-26H2,1-10H3,(H,70,94)(H,71,95)(H,72,99)(H,73,100)(H,74,101)(H,75,102)(H,76,104)(H,77,103)(H,78,105)(H,79,106)(H,80,96)(H,81,97)(H,84,98)

Standard InChI Key:  INEHQGMIZDVJBY-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA2396902

   N-[3-[[3-[[2-[[5-[[5-[[5-[[4-[[2-[[5-[[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylimidazol-4-yl]amino]-4-oxobutyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1479.63

Molecular Weight (Monoisotopic): 1478.7068

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References

1. Saha A, Pandian GN, Sato S, Taniguchi J, Hashiya K, Bando T, Sugiyama H..  (2013)  Synthesis and biological evaluation of a targeted DNA-binding transcriptional activator with HDAC8 inhibitory activity.,  21  (14): [PMID:23719282] [10.1016/j.bmc.2013.05.002]

Source

Source(1):

• Scientific Literature