Details of the Drug

General Information of Drug (ID: DMJ9KNU)

Drug Name

Hyacinthacine B3

Synonyms

Hyacinthacine B3; CHEMBL524631

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

203.24

Logarithm of the Partition Coefficient (xlogp)

-1.3

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C9H17NO4
IUPAC Name: (1S,2R,3R,5R,7R,8R)-3-(hydroxymethyl)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
Canonical SMILES: C[C@@H]1C[C@H]([C@H]2N1[C@@H]([C@H]([C@H]2O)O)CO)O
InChI: InChI=1S/C9H17NO4/c1-4-2-6(12)7-9(14)8(13)5(3-11)10(4)7/h4-9,11-14H,2-3H2,1H3/t4-,5-,6-,7-,8-,9+/m1/s1
InChIKey: PIBHCJDPQRCONN-MVEQLIQHSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Lactase-phlorizin hydrolase (LCT)	TTA0OSE	LPH_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	New polyhydroxylated pyrrolidine, piperidine, and pyrrolizidine alkaloids from Scilla sibirica. J Nat Prod. 2002 Dec;65(12):1875-81.