Details of the Drug

General Information of Drug (ID: DM74T5L)

Drug Name
Oligooxopiperazine derivative 1
Synonyms PMID26882240-Compound-29
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 494.6
Logarithm of the Partition Coefficient (xlogp) 0
Rotatable Bond Count (rotbonds) 11
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C24H42N6O5
IUPAC Name
(2S)-2-[(3S)-3-methyl-4-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]-2-oxopiperazin-1-yl]pentanediamide
Canonical SMILES
C[C@H]1C(=O)N(CCN1C(=O)[C@H](CC(C)C)N2CCN[C@H](C2=O)CC(C)C)[C@@H](CCC(=O)N)C(=O)N
InChI
InChI=1S/C24H42N6O5/c1-14(2)12-17-23(34)29(9-8-27-17)19(13-15(3)4)24(35)28-10-11-30(22(33)16(28)5)18(21(26)32)6-7-20(25)31/h14-19,27H,6-13H2,1-5H3,(H2,25,31)(H2,26,32)/t16-,17-,18-,19-/m0/s1
InChIKey
FMTAQWMOLHFOLT-VJANTYMQSA-N
Cross-matching ID
PubChem CID
71664643
ChEBI ID
CHEMBL4466328
TTD ID
D00KDT
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Hypoxia-inducible factor 1 (HIF-1) TTUX68I NOUNIPROTAC Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Hypoxia-inducible factor (HIF) inhibitors: a patent survey (2011-2015).Expert Opin Ther Pat. 2016;26(3):309-22.