Details of the Drug

General Information of Drug (ID: DM1MQ6Z)

• Drug Name: SC-102
• Synonyms: 4-[3-(4-Fluorophenyl)-1h-Pyrazol-4-Yl]pyridine; 3hvc; GG5; SCHEMBL1554633; CHEMBL1233024; BDBM19429; BILJSHVAAVZERY-UHFFFAOYSA-N; ZINC16052350; DB07829; 5-(4-Fluorophenyl)-4-(pyridin-4-yl)pyrazole; 4-[3-(4-Fluorophenyl)-1H-pyrazole-4-yl]pyridine; 4-(3-(4-fluorophenyl)-1h-pyrazol-4-yl); SC-102; SPC-0038B; SPC-0172; Temoporfin derivatives (cancer); Temoporfin derivatives (cancer), Scotia Holdings; 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 239.25
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C14H10FN3
  IUPAC Name: 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
  Canonical SMILES: C1=CC(=CC=C1C2=C(C=NN2)C3=CC=NC=C3)F
  InChI: InChI=1S/C14H10FN3/c15-12-3-1-11(2-4-12)14-13(9-17-18-14)10-5-7-16-8-6-10/h1-9H,(H,17,18)
  InChIKey: BILJSHVAAVZERY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 12106168
  DrugBank ID: DB07829
  TTD ID: D0O7BW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Stress-activated protein kinase 2a (p38 alpha)	TTQBR95	MK14_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
Stress-activated protein kinase 2a (p38 alpha)	DTT	MAPK14	7.98E-04	1.33	2.48

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 800016901)
• [2] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.