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]
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
PubChem CID
25169383
ChEBI ID
CHEMBL401633
TTD ID
D0J8VR
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
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.