Details of the Drug

General Information of Drug (ID: DMYNVLZ)

Drug Name

4-iodo-6-phenylpyrimidine

Synonyms

41270-96-6; CHEMBL497802; AC-907/25004997; AC1LG8ZQ; SCHEMBL244108; CHEBI:91213; CTK7C3610; MolPort-003-800-888; ZINC331218; BDBM50265608; AKOS005266491; FCH1331127; 4-IPP, &gt

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

282.08

Logarithm of the Partition Coefficient (xlogp)

2.6

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C10H7IN2
IUPAC Name: 4-iodo-6-phenylpyrimidine
Canonical SMILES: C1=CC=C(C=C1)C2=CC(=NC=N2)I
InChI: InChI=1S/C10H7IN2/c11-10-6-9(12-7-13-10)8-4-2-1-3-5-8/h1-7H
InChIKey: ZTCJXHNJVLUUMR-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 817368
ChEBI ID: CHEBI:91213
TTD ID: D0W1WF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
MIF messenger RNA (MIF mRNA)	TT6804T	MIF_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954.
2	Optimization of N-benzyl-benzoxazol-2-ones as receptor antagonists of macrophage migration inhibitory factor (MIF). Bioorg Med Chem Lett. 2010 Oct 1;20(19):5811-4.