Details of the Drug

General Information of Drug (ID: DMSYUHK)

Drug Name
US8889696, Staurosporine
Synonyms US8889696, Staurosporine; CHEMBL3683258; BDBM139540
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 452.5
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C27H24N4O3
IUPAC Name
(3R,4R)-3-methoxy-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one
Canonical SMILES
CN[C@@H]1CC2N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N(C7=C53)C([C@@H]1OC)O2)CNC6=O
InChI
InChI=1S/C27H24N4O3/c1-28-16-11-19-30-17-9-5-4-8-14(17)21-22-15(12-29-26(22)32)20-13-7-3-6-10-18(13)31(23(20)24(21)30)27(34-19)25(16)33-2/h3-10,16,19,25,27-28H,11-12H2,1-2H3,(H,29,32)/t16-,19?,25-,27?/m1/s1
InChIKey
YISMQBFJYDFMAL-AESIHLKFSA-N
Cross-matching ID
PubChem CID
91669270
TTD ID
D04JJM

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
PIM-3 protein kinase (PIM3) TTCGOIN PIM3_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
PIM-3 protein kinase (PIM3) DTT PIM3 7.86E-06 0.78 3.44
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Substituted pyrido[2,3-d]pyrimidin-7(8H)-ones and therapeutic uses thereof. US8889696.