Details of the Drug

General Information of Drug (ID: DMKA2YS)

• Drug Name: MG-132
• Synonyms: MG-132; Z-Leu-leu-leu-al; MG132; Zlllal; MG 132; Z-LLL-CHO; Zlll-cho; Z-Leu-leu-leucinal; Z-Leu-Leu-Leu-H; Z-Leu-Leu-Leu-CHO; Carbobenzoxy-leucyl-leucyl-leucinal; UNII-RF1P63GW3K; Benzyloxycarbonyl-leu-leu-leu-aldehyde; Benzyloxycarbonyl-leucyl-leucyl-leucinal; Lll cpd; Carbobenzoxyl-leucinyl-leucinyl-leucinal-H; Cbz-Leu-Leu-Leu-H; Benzyloxycarbonylleucyl-leucyl-leucine aldehyde; benzyl (S)-4-methyl-1-((S)-4-methyl-1-((S)-4-methyl-1-oxopentan-2-ylamino)-1-oxopentan-2-ylamino)-1-oxopentan-2-ylcarbamate; RF1P63GW3K
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight; 475.6
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 15
  Hydrogen Bond Donor Count; 3
  Hydrogen Bond Acceptor Count; 5
• Chemical Identifiers:
  Formula: C26H41N3O5
  IUPAC Name: benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate
  Canonical SMILES: CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1
  InChI: InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1
  InChIKey: TZYWCYJVHRLUCT-VABKMULXSA-N
• Cross-matching ID:
  PubChem CID: 462382
  ChEBI ID: CHEBI:75142
  CAS Number: 133407-82-6
  VARIDT ID: DR01613

Molecular Interaction Atlas of This Drug

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
P-glycoprotein 1 (ABCB1)	DTUGYRD	MDR1_HUMAN	Substrate	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
26S proteasome non-ATPase regulatory subunit 1 (PSMD1)	OTW258OV	PSMD1_HUMAN	Gene/Protein Processing	[2]
26S proteasome non-ATPase regulatory subunit 11 (PSMD11)	OT8KO67V	PSD11_HUMAN	Gene/Protein Processing	[2]
26S proteasome non-ATPase regulatory subunit 12 (PSMD12)	OTWICA51	PSD12_HUMAN	Gene/Protein Processing	[2]
26S proteasome non-ATPase regulatory subunit 13 (PSMD13)	OTNQ351N	PSD13_HUMAN	Gene/Protein Processing	[2]
26S proteasome non-ATPase regulatory subunit 14 (PSMD14)	OTJWHMZ5	PSDE_HUMAN	Gene/Protein Processing	[2]
26S proteasome non-ATPase regulatory subunit 2 (PSMD2)	OT6HZHN7	PSMD2_HUMAN	Gene/Protein Processing	[2]
26S proteasome non-ATPase regulatory subunit 3 (PSMD3)	OT585WY8	PSMD3_HUMAN	Gene/Protein Processing	[2]
26S proteasome non-ATPase regulatory subunit 6 (PSMD6)	OTX59EGK	PSMD6_HUMAN	Gene/Protein Processing	[2]
26S proteasome non-ATPase regulatory subunit 8 (PSMD8)	OTY6X27P	PSMD8_HUMAN	Gene/Protein Processing	[2]
26S proteasome regulatory subunit 10B (PSMC6)	OTG8997V	PRS10_HUMAN	Gene/Protein Processing	[2]

References

• [1] Increased ABCB1 expression in TP-110-resistant RPMI-8226 cells. Biosci Biotechnol Biochem. 2010;74(9):1913-9.
• [2] Proteasome inhibition creates a chromatin landscape favorable to RNA Pol II processivity. J Biol Chem. 2020 Jan 31;295(5):1271-1287. doi: 10.1074/jbc.RA119.011174. Epub 2019 Dec 5.