Details of the Drug

General Information of Drug (ID: DM7NXMB)

Drug Name

[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL

Synonyms

[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL; SB-485345; 2ai7; 2ai8; AC1NRD35; DB08523

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)

181.23

Logarithm of the Partition Coefficient (xlogp)

1.5

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C10H15NO2
IUPAC Name: [hydroxy(3-phenylpropyl)amino]methanol
Canonical SMILES: C1=CC=C(C=C1)CCCN(CO)O
InChI: InChI=1S/C10H15NO2/c12-9-11(13)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,12-13H,4,7-9H2
InChIKey: GELOPWXSYZDPJT-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Staphylococcus Peptide deformylase (Stap-coc def)	TTICO5G	DEF_STAAU	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.