Details of the Drug

General Information of Drug (ID: DM1GE67)

• Drug Name: GS-4224
• Synonyms: Methyl Pyridazine-4-carboxylate; 34231-77-1; PYRIDAZINE-4-CARBOXYLIC ACID METHYL ESTER; 4-PYRIDAZINECARBOXYLIC ACID, METHYL ESTER; MFCD09953488; ACMC-1AJNN; methyl 4-pyridazinecarboxylate; methylpyridazine-4-carboxylate; SCHEMBL1421640; DTXSID30498310; AMY24958; BCP22435; ANW-50355; ZINC12359421; AKOS015854403; Methyl pyridazine-4-carboxylate, 97%; AC-4414; CS-W003697; PB31452; 4-Pyridazinecarboxylic acid methyl ester; AK-48857; SY004472; AB0024323; DB-030309; FT-0717698; W5569; S-2990; J-522632

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Phase 1/2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 138.12
  Logarithm of the Partition Coefficient (xlogp); -0.3
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C6H6N2O2
  IUPAC Name: methyl pyridazine-4-carboxylate
  Canonical SMILES: COC(=O)C1=CN=NC=C1
  InChI: InChI=1S/C6H6N2O2/c1-10-6(9)5-2-3-7-8-4-5/h2-4H,1H3
  InChIKey: IJFLWNYKGMQQOW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 12439252
  CAS Number: 34231-77-1
  TTD ID: DS6VD0

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Programmed cell death 1 ligand 1 (PD-L1)	TT8ZLTI	PD1L1_HUMAN	Inhibitor	[2]

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
Programmed cell death 1 ligand 1 (PD-L1)	DTT	CD274	4.38E-07	0.37	2.1

References

• [1] ClinicalTrials.gov (NCT04049617) Safety, Tolerability, Pharmacokinetics, and Efficacy of GS-4224 in Participants With Advanced Solid Tumors. U.S. National Institutes of Health.
• [2] Clinical pipeline report, company report or official report of Gilead Sciences.