Details of the Drug

General Information of Drug (ID: DMF3CLX)

Drug Name

4-Iodopyrazole

Synonyms

4-Iodopyrazole; 4-Iodo-1H-pyrazole; 3469-69-0; 1H-Pyrazole, 4-iodo-; 4-iodo-pyrazole; Pyrazole, 4-iodo; LLNQWPTUJJYTTE-UHFFFAOYSA-N; 4-Iodopyrazole, 98%; 4-iod-1h-pyrazol; 4-iodo pyrazole; sFtHCQVILimKP@; zlchem 55; EINECS 222-434-1; 4-iodo-1H-pyrazol; PubChem13295; ACMC-1CSZW; 4-Iodopyrazole, 99%; AC1Q4PAD; AC1L2S6R; AC1Q1GT3; SCHEMBL71959; AMTH001; KSC225I2F; Jsp006281; LLNQWPTUJJYTTE-UHFFFAOYSA-; CTK1C5422; CHEBI:45260; ZLB0042; DTXSID30188244; MolPort-000-156-497; BM019; KS-000004PJ; ALBB-013400; ACT01776; ZINC2046962; ACN-P000781

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)

193.97

Logarithm of the Partition Coefficient (xlogp)

1.7

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C3H3IN2
IUPAC Name: 4-iodo-1H-pyrazole
Canonical SMILES: C1=C(C=NN1)I
InChI: InChI=1S/C3H3IN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
InChIKey: LLNQWPTUJJYTTE-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 77022
ChEBI ID: CHEBI:45260
CAS Number: 3469-69-0
DrugBank ID: DB02721
TTD ID: D0RM7D

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Mycobacterium Cytochrome p450 121 (MycB cyp121)	TTBK0PU	CP121_MYCBO	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.