Details of the Drug

General Information of Drug (ID: DM35PIJ)

Drug Name

Cyclobutyl

Synonyms

Cyclobutyl radical; cyclobutanyl; cyclobutan-1-yl; 4548-06-5; Cyclobutylradical; AC1L3CHP; DTXSID90196522; 16188-EP2281563A1; 16097-EP2316459A1; 16097-EP2275401A1; 16188-EP2316459A1; 16188-EP2308873A1; 16097-EP2308848A1

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)

55.1

Logarithm of the Partition Coefficient (xlogp)

2.5

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

0

Chemical Identifiers

Formula: C4H7
Canonical SMILES: C1C[CH]C1
InChI: InChI=1S/C4H7/c1-2-4-3-1/h1H,2-4H2
InChIKey: ZAEBLFKQMDEPDM-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 138291
CAS Number: 4548-06-5
TTD ID: D0R5AJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Entamoeba Alcohol dehydrogenase 2 (Entamo ADH2)	TTJS7O4	ADH2_ENTHI	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Entamoeba histolytica alcohol dehydrogenase 2 (EhADH2) as a target for anti-amoebic agents. J Antimicrob Chemother. 2004 Jul;54(1):56-9.