Details of the Drug

General Information of Drug (ID: DMIPENJ)

Drug Name

4-Iodo-2,6-diisopropyl-phenol

Synonyms

4-Iodopropofol; 169255-48-5; 4-IODO-2,6-BIS(ISOPROPYL)PHENOL; CHEMBL53267; 4-Iodo-2,6-diisopropyl-phenol; Bobel 4; Phenol, 4-iodo-2,6-bis(1-methylethyl)-; 4-Iodo-2,6-diisopropylphenol; ZINC8678; SCHEMBL1163939; DTXSID10432353; MolPort-009-677-266; ZX-AT014004; BDBM50064424; 2,6-Bis(prop-2-yl)-4-iodophenol; AKOS025310281; OR54368; FCH1363142; 2,6-Bis(isopropyl)-4-iodophenol 97%

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)

304.17

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: C12H17IO
IUPAC Name: 4-iodo-2,6-di(propan-2-yl)phenol
Canonical SMILES: CC(C)C1=CC(=CC(=C1O)C(C)C)I
InChI: InChI=1S/C12H17IO/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3
InChIKey: JMJHJCFWTNRPEI-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 9882905
CAS Number: 169255-48-5
TTD ID: D0G8XR

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.