Details of the Drug

General Information of Drug (ID: DMBP5L4)

Drug Name

Acetic acid 2,6-diisopropyl-phenyl ester

Synonyms

2,6-Diisopropylphenyl acetate; UVYYQAXNOURFPH-UHFFFAOYSA-N; [2,6-di(propan-2-yl)phenyl] acetate; Acetic acid 2,6-diisopropyl-phenyl ester; AC1LC89D; CHEMBL56587; SCHEMBL1927023; UVYYQAXNOURFPH-UHFFFAOYSA-; ZINC13779584; InChI=1/C14H20O2/c1-9(2)12-7-6-8-13(10(3)4)14(12)16-11(5)15/h6-10H,1-5H3

Indication

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

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

220.31

Logarithm of the Partition Coefficient (xlogp)

3.9

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C14H20O2
IUPAC Name: [2,6-di(propan-2-yl)phenyl] acetate
Canonical SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)OC(=O)C
InChI: InChI=1S/C14H20O2/c1-9(2)12-7-6-8-13(10(3)4)14(12)16-11(5)15/h6-10H,1-5H3
InChIKey: UVYYQAXNOURFPH-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 596091
TTD ID: D06PWM

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]

------------------------------------------------------------------------------------

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.