Details of the Drug

General Information of Drug (ID: DM9MPHF)

Drug Name

4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

Synonyms

CHEMBL1089985; 4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine; SCHEMBL2239177; 1H-Pyrrolo[2,3-b]pyridine, 4-(1H-pyrazol-4-yl)-; BDBM50315770

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)

184.2

Logarithm of the Partition Coefficient (xlogp)

1.2

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C10H8N4
IUPAC Name: 4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
Canonical SMILES: C1=CNC2=NC=CC(=C21)C3=CNN=C3
InChI: InChI=1S/C10H8N4/c1-3-11-10-9(2-4-12-10)8(1)7-5-13-14-6-7/h1-6H,(H,11,12)(H,13,14)
InChIKey: FATFDRYYCYZBQB-UHFFFAOYSA-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]

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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	Discovery of a new series of Aurora inhibitors through truncation of GSK1070916. Bioorg Med Chem Lett. 2010 Apr 15;20(8):2552-5.