Details of the Drug

General Information of Drug (ID: DM1XHNW)

Drug Name

IRAK4 inhibitor rac-45

Synonyms

CHEMBL401633; GTPL8081; SCHEMBL18427753; BDBM50377180; IRAK4 inhibitor rac-45 [PMID: 18501603]

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)

313.78

Logarithm of the Partition Coefficient (xlogp)

3.1

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C16H16ClN5
IUPAC Name: 6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-pyrrolidin-3-ylpyridin-2-amine
Canonical SMILES: C1CNCC1NC2=CC=CC(=N2)C3=CN=C4N3C=C(C=C4)Cl
InChI: InChI=1S/C16H16ClN5/c17-11-4-5-16-19-9-14(22(16)10-11)13-2-1-3-15(21-13)20-12-6-7-18-8-12/h1-5,9-10,12,18H,6-8H2,(H,20,21)
InChIKey: NAMQQRIYZTTYCJ-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Renal carcinoma antigen NY-REN-64 (IRAK-4)	TTKFVXR	IRAK4_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	IRAK-4 inhibitors. Part III: a series of imidazo[1,2-a]pyridines. Bioorg Med Chem Lett. 2008 Jun 15;18(12):3656-60.