Details of the Drug

General Information of Drug (ID: DMY8TLO)

Drug Name

4-Bromo-2,6-diisopropyl-phenol

Synonyms

4-Bromo-2,6-diisopropyl-phenol; 4-BROMO-2,6-DIISOPROPYLPHENOL; CHEMBL54497; 2432-03-3; SCHEMBL3640323; 2,6-Diisopropyl-4-bromophenol; CTK5I6265; 4-bromo-2,6-di-isopropylphenol; MolPort-002-462-054; QNJVELOLCDKQBN-UHFFFAOYSA-N; ZINC13779577; BDBM50064417; AKOS028112327; 4-bromo-2,6-bis(propan-2-yl)phenol; AS-3289; Phenol, 4-bromo-2,6-bis(1-methylethyl)-

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)

257.17

Logarithm of the Partition Coefficient (xlogp)

4.5

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C12H17BrO
IUPAC Name: 4-bromo-2,6-di(propan-2-yl)phenol
Canonical SMILES: CC(C)C1=CC(=CC(=C1O)C(C)C)Br
InChI: InChI=1S/C12H17BrO/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3
InChIKey: QNJVELOLCDKQBN-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10422572
TTD ID: D0L8CX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Propofol analogues. Synthesis, relationships between structure and affinity at GABAA receptor in rat brain, and differential electrophysiological p... J Med Chem. 1998 May 21;41(11):1846-54.