Details of the Drug

General Information of Drug (ID: DMWSR13)

Drug Name

2-Hydroxy-N-(3-phenyl-propyl)-benzamide

Synonyms

2-hydroxy-N-(3-phenylpropyl)benzamide; CHEMBL290426; 153810-66-3; MLS000112389; 2-Hydroxy-N-(3-phenyl-propyl)-benzamide; AC1M4REE; Cambridge id 6816004; cid_2287872; MolPort-001-028-867; HMS2472G06; ZINC2989649; AC1Q7881; BDBM50282105; AKOS008913729; NE30179; MCULE-4556826159; JJ-3297; ST069062; SMR000108303; EN300-70444; AB00120250-01; (2-hydroxyphenyl)-N-(3-phenylpropyl)carboxamide; SR-01000522099; SR-01000522099-1

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)

255.31

Logarithm of the Partition Coefficient (xlogp)

3.7

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C16H17NO2
IUPAC Name: 2-hydroxy-N-(3-phenylpropyl)benzamide
Canonical SMILES: C1=CC=C(C=C1)CCCNC(=O)C2=CC=CC=C2O
InChI: InChI=1S/C16H17NO2/c18-15-11-5-4-10-14(15)16(19)17-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11,18H,6,9,12H2,(H,17,19)
InChIKey: NCGDIICSZWHCQX-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 2287872
TTD ID: D09XXN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fungal Scytalone dehydratase (Fung SDH1)	TT64EPS	SCYD_MAGO7	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	A diazine heterocycle replaces a six-membered hydrogen-bonded array in the active site of scytalone dehydratase, Bioorg. Med. Chem. Lett. 3(8):1605-1608 (1993).