Details of the Drug

General Information of Drug (ID: DMKHFV4)

Drug Name

5-PENTYL-2-PHENOXYPHENOL

Synonyms

5-PENTYL-2-PHENOXYPHENOL; 5-Pentyl-2-phenoxy-phenol; 5PP; AC1NRXEL; 5-pentyl-2-phenoxylphenol; SCHEMBL2873530; PT03; CHEMBL1224745; BDBM16296; AIDS227445

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): 1

Molecular Weight (mw)

256.339

Logarithm of the Partition Coefficient (xlogp)

5.5

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C17H20O2
IUPAC Name: 5-pentyl-2-phenoxyphenol
Canonical SMILES: CCCCCC1=CC(=C(C=C1)OC2=CC=CC=C2)O
InChI: InChI=1S/C17H20O2/c1-2-3-5-8-14-11-12-17(16(18)13-14)19-15-9-6-4-7-10-15/h4,6-7,9-13,18H,2-3,5,8H2,1H3
InChIKey: OJLYTHOKCYLPMA-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5274976
DrugBank ID: DB07178
TTD ID: D09ABM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Fatty acid synthetase I (Bact inhA)	TTVTX4N	INHA_MYCTU	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.