Details of the Drug

General Information of Drug (ID: DMM9A5N)

Drug Name

AGL 2043

Synonyms

AGL-2043; HMS3229A05; AGL2043

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 is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

280.3

Logarithm of the Partition Coefficient (xlogp)

2.5

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C15H12N4S
IUPAC Name: 1,2-dimethyl-6-thiophen-2-ylimidazo[4,5-g]quinoxaline
Canonical SMILES: CC1=NC2=C(N1C)C=C3C(=C2)N=C(C=N3)C4=CC=CS4
InChI: InChI=1S/C15H12N4S/c1-9-17-12-6-11-10(7-14(12)19(9)2)16-8-13(18-11)15-4-3-5-20-15/h3-8H,1-2H3
InChIKey: ZGDACLBJJXLKJY-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Platelet-derived growth factor receptor beta (PDGFRB)	TTI7421	PGFRB_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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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
Platelet-derived growth factor receptor beta (PDGFRB)	DTT	PDGFRB	5.35E-10	0.36	0.89

Molecular Expression Atlas (MEA)

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References

1	Tricyclic quinoxalines as potent kinase inhibitors of PDGFR kinase, Flt3 and Kit. Bioorg Med Chem. 2003 May 1;11(9):2007-18.