Details of the Drug

General Information of Drug (ID: DM3VL7G)

Drug Name
Phosphoramidon
Synonyms
Talopeptin; 84235-60-9; L-Tryptophan, N-(N-(((6-deoxy-alpha-L-talopyranosyl)oxy)hydroxyphosphinyl)-L-leucyl)-; talopeptin (MKI); AC1Q5QPH; (2s)-2-({(2s)-2-[(hydroxy{[(2s,3r,4r,5s,6s)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}phosphoryl)amino]-4-methylpentanoyl}amino)-3-(1h-indol-3-yl)propanoic acid(non-preferred name); SCHEMBL7155564; AC1L353S; CHEMBL1742968; LS-158133; N-(6-deoxy-alpha-talopyranosyloxyphospho)-leucyl-tryptophan; N-[N-[[(6-deoxy-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 4 Molecular Weight (mw) 543.5
Logarithm of the Partition Coefficient (xlogp) -0.2
Rotatable Bond Count (rotbonds) 11
Hydrogen Bond Donor Count (hbonddonor) 8
Hydrogen Bond Acceptor Count (hbondacc) 11
Chemical Identifiers
Formula
C23H34N3O10P
IUPAC Name
(2S)-2-[[(2S)-2-[[hydroxy-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphosphoryl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Canonical SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OP(=O)(N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O)O)O)O)O
InChI
InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1
InChIKey
ZPHBZEQOLSRPAK-XLCYBJAPSA-N
Cross-matching ID
PubChem CID
445114
ChEBI ID
CHEMBL479579
CAS Number
36357-77-4
UNII
T3G94E2LB1
DrugBank ID
DB02557
TTD ID
D09NAJ
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Endothelin-converting enzyme (ECE) TT1BGDH NOUNIPROTAC Inhibitor [1]
Neutral endopeptidase (MME) TT5TKPM NEP_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 In vitro enzymatic processing of radiolabelled big ET-1 in human kidney. Biochem Pharmacol. 1998 Mar 1;55(5):697-701.
2 Neprilysin, a novel target for ultraviolet B regulation of melanogenesis via melanocortins. J Invest Dermatol. 2000 Sep;115(3):381-7.