Details of the Drug

General Information of Drug (ID: DMH4C3M)

Drug Name
STA-5326
Synonyms Apilimod; STA 5326; STA5326; N-[(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
Indication
Disease Entry ICD 11 Status REF
Crohn disease DD70 Phase 2 [1]
Rheumatoid arthritis FA20 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 418.5
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C23H26N6O2
IUPAC Name
N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
Canonical SMILES
CC1=CC(=CC=C1)/C=N/NC2=CC(=NC(=N2)OCCC3=CC=CC=N3)N4CCOCC4
InChI
InChI=1S/C23H26N6O2/c1-18-5-4-6-19(15-18)17-25-28-21-16-22(29-10-13-30-14-11-29)27-23(26-21)31-12-8-20-7-2-3-9-24-20/h2-7,9,15-17H,8,10-14H2,1H3,(H,26,27,28)/b25-17+
InChIKey
HSKAZIJJKRAJAV-KOEQRZSOSA-N
Cross-matching ID
PubChem CID
10173277
ChEBI ID
CHEMBL4297643
CAS Number
541550-19-0
UNII
GFW2K84S4L
DrugBank ID
DB05611
TTD ID
D0C9NJ
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Interleukin-12 alpha (IL12A) TTRTK6Y IL12A_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Crohn disease
ICD Disease Classification DD70
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Interleukin-12 alpha (IL12A) DTT IL12A 2.41E-04 -0.12 -0.49
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 A phase 1/2A trial of STA 5326, an oral interleukin-12/23 inhibitor, in patients with active moderate to severe Crohn's disease. Inflamm Bowel Dis. 2006 Jul;12(7):558-65.
2 Therapeutic effect of the potent IL-12/IL-23 inhibitor STA-5326 on experimental autoimmune uveoretinitis. Arthritis Res Ther. 2008;10(5):R122.