Details of the Drug

General Information of Drug (ID: DMD0LCU)

Drug Name

[3-(5-Phenyl-oxazol-2-ylamino)-phenyl]-methanol

Synonyms

3-(5-phenyl-oxazol-2-ylamino)phenylmethanol; 681002-56-2; [3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]methanol; {3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl}methanol; 2-Anilino-5-aryloxazole 12; AC1NS7RB; CHEMBL194113; BDBM5851; SCHEMBL5185668; ZINC13611262; KB-305372; N-(3-Hydroxymethylphenyl)-5-phenyl-1,3-oxazol-2-amine Hydrochloride

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)

266.29

Logarithm of the Partition Coefficient (xlogp)

3

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C16H14N2O2
IUPAC Name: [3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]methanol
Canonical SMILES: C1=CC=C(C=C1)C2=CN=C(O2)NC3=CC=CC(=C3)CO
InChI: InChI=1S/C16H14N2O2/c19-11-12-5-4-8-14(9-12)18-16-17-10-15(20-16)13-6-2-1-3-7-13/h1-10,19H,11H2,(H,17,18)
InChIKey: WTSNQZLKTLSHSD-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5329847
TTD ID: D0V9DQ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Vascular endothelial growth factor receptor 2 (KDR)	TTUTJGQ	VGFR2_HUMAN	Inhibitor	[1]
Vascular endothelial growth factor receptor 3 (FLT-4)	TTDCBX5	VGFR3_HUMAN	Inhibitor	[1]
VEGFR1 messenger RNA (VEGFR1 mRNA)	TT1VAUK	VGFR1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Vascular endothelial growth factor receptor 2 (KDR)	DTT	KDR	1.98E-01	0.11	0.2
Vascular endothelial growth factor receptor 3 (FLT-4)	DTT	FLT4	6.00E-01	-0.04	-0.23
VEGFR1 messenger RNA (VEGFR1 mRNA)	DTT	FLT1	1.64E-05	0.29	0.51

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Discovery and evaluation of 2-anilino-5-aryloxazoles as a novel class of VEGFR2 kinase inhibitors. J Med Chem. 2005 Mar 10;48(5):1610-9.