Details of the Drug

General Information of Drug (ID: DMO7WRU)

Drug Name
ST074946
Synonyms
ST074946; 3-Amino-6,6-dimethyl-2-phenyl-2,8-dihydro-6H-pyrano[3,4-c]pyridazine-4-carbonitrile; AC1LENQ2; CHEMBL171632; GTPL6539; ZINC173901; HMS1685F16; AKOS000506326; MCULE-9779696514; BAS 00288764; SR-01000803010; SR-01000803010-2; 3-amino-6,6-dimethyl-2-phenyl-8H-pyrano[4,5-e]pyridazine-4-carbonitrile; 3-amino-6,6-dimethyl-2-phenyl-2,6-dihydro-8H-pyrano[3,4-c]pyridazine-4-carboni trile
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) 280.32
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C16H16N4O
IUPAC Name
3-amino-6,6-dimethyl-2-phenyl-8H-pyrano[3,4-c]pyridazine-4-carbonitrile
Canonical SMILES
CC1(C=C2C(=NN(C(=C2C#N)N)C3=CC=CC=C3)CO1)C
InChI
InChI=1S/C16H16N4O/c1-16(2)8-12-13(9-17)15(18)20(19-14(12)10-21-16)11-6-4-3-5-7-11/h3-8H,10,18H2,1-2H3
InChIKey
XQJQZTOXHGIQCA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
738951
ChEBI ID
CHEMBL171632
TTD ID
D05TNT
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Deneddylase-1 (SENP8) TTMBUHI SENP8_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction 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: 6539).
2 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. (Target id: 2417).