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]
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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
TTD ID: D05TNT

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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).