Drug General Information
Drug ID
DXKC9H
Drug Name
Cyclic peptide analogue
Synonyms
CHEMBL437226
Indication Discovery agent Investigative [1587926]
Formula
C79H120N22O22S3
Canonical SMILES
CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](CO)N[C@H]2CC(=O)NCC(=O)N[C@H](CC(=O)N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](Cc5c[nH]cn5)C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N6CCC[C@@H]6C(=O)N2)C(C)C)C(C)C)C(=O)O
InChI
InChI=1S/C79H120N22O22S3/c1-38(2)25-52(78(121)101-22-14-17-55(101)72(115)95-54(36-124)71(114)98-64(40(5)6)75(118)99-63(39(3)4)74(117)92-48(79(122)123)20-24-126-10)90-61(107)33-84-66(109)47(19-23-125-9)91-70(113)53(35-102)88-58-29-59(105)83-32-60(106)89-51(28-57(80)104)69(112)93-49(26-43-30-82-46-16-12-11-15-45(43)46)68(111)94-50(27-44-31-81-37-86-44)67(110)85-34-62(108)97-65(42(8)103)76(119)87-41(7)77(120)100-21-13-18-56(100)73(116)96-58/h11-12,15-16,30-31,37-42,47-56,58,63-65,82,88,102-103,124H,13-14,17-29,32-36H2,1-10H3,(H2,80,104)(H,81,86)(H,83,105)(H,84,109)(H,85,110)(H,87,119)(H,89,106)(H,90,107)(H,91,113)(H,92,117)(H,93,112)(H,94,111)(H,95,115)(H,96,116)(H,97,108)(H,98,114)(H,99,118)(H,122,123)/t41-,42+,47-,48-,49-,50+,51+,52-,53-,54-,55+,56+,58+,63-,64-,65+/m0/s1
InChIKey
ZNJDULTVNDQCNF-BPVBSUFJSA-N
Target and Pathway
Target(s) Farnesyltransferase Target Info [1587926]
Protein farnesyltransferase beta subunit Target Info [1587926]
KEGG Pathway Terpenoid backbone biosynthesis
Biosynthesis of antibioticshsa00900:Terpenoid backbone biosynthesis
Biosynthesis of antibiotics
NetPath Pathway TSH Signaling Pathway
Reactome Apoptotic cleavage of cellular proteins
Inactivation, recovery and regulation of the phototransduction cascadeR-HSA-2514859:Inactivation, recovery and regulation of the phototransduction cascade
WikiPathways Visual phototransduction
Apoptotic execution phaseWP2776:Visual phototransduction
References
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017

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