Details of the Drug

General Information of Drug (ID: DM9VN21)

Drug Name

4-Chloro-2,6-diisopropyl-phenol

Synonyms

CHEMBL292402; 2,6-diisopropyl-4-chlorophenol; 91561-75-0; 4-chloro-2,6-diisopropylphenol; 4-Chloro-2,6-diisopropyl-phenol; SCHEMBL4714270; ZINC13779576; BDBM50064419; DA-01221

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)

212.71

Logarithm of the Partition Coefficient (xlogp)

4.4

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C12H17ClO
IUPAC Name: 4-chloro-2,6-di(propan-2-yl)phenol
Canonical SMILES: CC(C)C1=CC(=CC(=C1O)C(C)C)Cl
InChI: InChI=1S/C12H17ClO/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3
InChIKey: ZRTAKZQCHCQFAB-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10059055
TTD ID: D0U6FH

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.