Details of the Drug

General Information of Drug (ID: DMZ5ODC)

Drug Name

Indirubin-3-methoxime

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)

291.3

Logarithm of the Partition Coefficient (xlogp)

3.3

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C17H13N3O2
IUPAC Name: 3-[(3Z)-3-methoxyiminoindol-2-yl]-1H-indol-2-ol
Canonical SMILES: CO/N=C\\1/C2=CC=CC=C2N=C1C3=C(NC4=CC=CC=C43)O
InChI: InChI=1S/C17H13N3O2/c1-22-20-15-11-7-3-5-9-13(11)18-16(15)14-10-6-2-4-8-12(10)19-17(14)21/h2-9,19,21H,1H3/b20-15-
InChIKey: DLJNVUXERDSYFS-HKWRFOASSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Aurora B messenger RNA (AURKB mRNA)	TT9RTBL	AURKB_HUMAN	Inhibitor	[1]
Aurora kinase A (AURKA)	TTPS3C0	AURKA_HUMAN	Inhibitor	[1]
Aurora kinase C (AURKC)	TTLYXIT	AURKC_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
Aurora kinase A (AURKA)	DTT	AURKA	9.41E-46	-1.78	-2.05

Molecular Expression Atlas (MEA)

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References

1	An integrated computational approach to the phenomenon of potent and selective inhibition of aurora kinases B and C by a series of 7-substituted in... J Med Chem. 2007 Aug 23;50(17):4027-37.