Details of the Drug

General Information of Drug (ID: DMTZ7E4)

• Drug Name: SC-106
• Synonyms: SC-106; AC1LAPZA; SCHEMBL6773940; IABCGGIFHPDBCJ-JTQLQIEISA-N; (3R)-3-[[2-[(3-guanidinobenzoyl)amino]acetyl]amino]pent-4-ynoic acid; (R)-3-(2-{[1-(3-Guanidino-phenyl)-methanoyl]-amino}-ethanoylamino)-pent-4-ynoic acid; (3R)-3-[[2-[[3-(diaminomethylideneamino)benzoyl]amino]acetyl]amino]pent-4-ynoic acid

Indication

Disease Entry	ICD 11	Status	REF
Rheumatoid arthritis	FA20	Discontinued in Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 331.33
  Logarithm of the Partition Coefficient (xlogp); -1.3
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C15H17N5O4
  IUPAC Name: (3R)-3-[[2-[[3-(diaminomethylideneamino)benzoyl]amino]acetyl]amino]pent-4-ynoic acid
  Canonical SMILES: C#C[C@@H](CC(=O)O)NC(=O)CNC(=O)C1=CC(=CC=C1)N=C(N)N
  InChI: InChI=1S/C15H17N5O4/c1-2-10(7-13(22)23)19-12(21)8-18-14(24)9-4-3-5-11(6-9)20-15(16)17/h1,3-6,10H,7-8H2,(H,18,24)(H,19,21)(H,22,23)(H4,16,17,20)/t10-/m0/s1
  InChIKey: IABCGGIFHPDBCJ-JTQLQIEISA-N
• Cross-matching ID:
  PubChem CID: 492984
  TTD ID: D0D3KY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Phospholipase A2 (PLA2G1B)	TT9V5JH	PA21B_HUMAN	Inhibitor	[2]

Molecular Expression Atlas of This Drug

• ICD Disease Classification: 15 Disease of the musculoskeletal system/connective tissue
• Disease Class: ICD-11: FA20 Rheumatoid arthritis
• The Studied Tissue: Synovial tissue
• The Studied Disease: Rheumatoid arthritis [ICD-11:FA20]

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Phospholipase A2 (PLA2G1B)	DTT	PLA2G1B	2.65E-01	-0.08	-0.21

References

• [1] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800007225)
• [2] US patent application no. 6,673,908, Tumor necrosis factor receptor 2.