Details of the Drug

General Information of Drug (ID: DMZ8WMA)

Drug Name

3-bicyclo[2.2.1]hept-2-yl-benzene-1,2-diol

Synonyms

1,2-benzenediol,3-bicyclo[2.2.1]hept-2-yl-; 462606-73-1; AC1MXF8P; 3-bicyclo[2.2.1]hept-2-yl-benzene-1,2-diol; Oprea1_604715; GTPL2569; CTK8I7953; AKOS027407656; KB-148826; 3-(3-bicyclo[2.2.1]heptanyl)benzene-1,2-diol

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 is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

204.26

Logarithm of the Partition Coefficient (xlogp)

3.5

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C13H16O2
IUPAC Name: 3-(2-bicyclo[2.2.1]heptanyl)benzene-1,2-diol
Canonical SMILES: C1CC2CC1CC2C3=C(C(=CC=C3)O)O
InChI: InChI=1S/C13H16O2/c14-12-3-1-2-10(13(12)15)11-7-8-4-5-9(11)6-8/h1-3,8-9,11,14-15H,4-7H2
InChIKey: DWWJNUSFHLSDSW-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3764681
TTD ID: D0O8MU

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated potassium channel Kv2.1 (KCNB1)	TT5OEKU	KCNB1_HUMAN	Blocker (channel blocker)	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2569).
2	Novel neuroprotective K+ channel inhibitor identified by high-throughput screening in yeast. Mol Pharmacol. 2004 Jan;65(1):214-9.