Details of the Drug

General Information of Drug (ID: DMBEA6V)

Drug Name
AZD1208
Synonyms
AZD1208; 1204144-28-4; AZD-1208; UNII-S98NFM1378; (R,Z)-5-((2-(3-aminopiperidin-1-yl)-[1,1'-biphenyl]-3-yl)methylene)thiazolidine-2,4-dione; CHEMBL2048872; S98NFM1378; AZD 1208; AK174910; GTPL7698; (5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-phenylphenyl]methylidene]-1,3-thiazolidine-2,4-dione; (5Z)-5-({2-[(3R)-3-Aminopiperidin-1-yl]-3-phenylphenyl}methylidene)-1,3-thiazolidine-2,4-dione; SCHEMBL1580644; MolPort-035-395-904; EX-A1804; AOB87151; s7104; 2236AH; ZINC84670255; BDBM50387298; AKOS025404917; CS-1668; QC-11435; HY-15604
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 379.5
Logarithm of the Partition Coefficient (xlogp) 3.6
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C21H21N3O2S
IUPAC Name
(5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-phenylphenyl]methylidene]-1,3-thiazolidine-2,4-dione
Canonical SMILES
C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\\4/C(=O)NC(=O)S4)N
InChI
InChI=1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/b18-12-/t16-/m1/s1
InChIKey
MCUJKPPARUPFJM-UWCCDQBKSA-N
Cross-matching ID
PubChem CID
58423153
ChEBI ID
CHEMBL2048872
CAS Number
1204144-28-4
TTD ID
D00IFR
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Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Serine/threonine-protein kinase pim-2 (PIM2) TT69J2Z PIM2_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Solid tumour/cancer
ICD Disease Classification 2A00-2F9Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Serine/threonine-protein kinase pim-2 (PIM2) DTT PIM2 6.70E-03 0.59 1.1
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7698).
2 AZD1208, a potent and selective pan-Pim kinase inhibitor, demonstrates efficacy in preclinical models of acute myeloid leukemia. Blood. 2014 Feb 6;123(6):905-13.