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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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: CHEBI:45353
CAS Number: 36357-77-4
DrugBank ID: DB02557
TTD ID: D09NAJ

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)

MIA Detail

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.