Details of the Drug

General Information of Drug (ID: DM4FOX0)

Drug Name

AK107

Synonyms

2,5-Bis[4-(1H-imidazol-2-yl)phenyl]-1,3-oxazole; 2,5-bis[4-(1H-imidazol-2-yl)phenyl]-1,3-oxazole; AK.107; AC1LARBL; CTK5J5532; 2,5-bis[4-(1H-imidazol-2-yl)phenyl]oxazole; 2,5-Bis(4-imidazol-2-ylphenyl)-1,3-oxazole

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Phase 1	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

353.4

Logarithm of the Partition Coefficient (xlogp)

3.3

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C21H15N5O
IUPAC Name: 2,5-bis[4-(1H-imidazol-2-yl)phenyl]-1,3-oxazole
Canonical SMILES: C1=CC(=CC=C1C2=CN=C(O2)C3=CC=C(C=C3)C4=NC=CN4)C5=NC=CN5
InChI: InChI=1S/C21H15N5O/c1-3-15(19-22-9-10-23-19)4-2-14(1)18-13-26-21(27-18)17-7-5-16(6-8-17)20-24-11-12-25-20/h1-13H,(H,22,23)(H,24,25)
InChIKey: POIOBVFAFSUWGR-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 473613
TTD ID: D01HQU

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Immune checkpoint (ICH)	TTV8N19	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)