Details of the Drug

General Information of Drug (ID: DM62ZRE)

• Drug Name: 4-(2-nitrovinyl)benzene-1,2-diol
• Synonyms: SL-1; CHEMBL78224; 108074-44-8; 4-(2-nitrovinyl)benzene-1,2-diol; SL-1 Pigment; 1,2-Dihydroxy-4-(nitroethenyl)benzene; 4-[(E)-2-nitroethenyl]benzene-1,2-diol; AC1O5R3K; SCHEMBL2052283; SCHEMBL2052285; beta-Nitro-3,4-dihydroxystyrene; LLJASJHXECDHOM-ONEGZZNKSA-N; BDBM50007069; AKOS010878666; 4-(2-Nitro-vinyl)-benzene-1,2-diol; 1,2-Benzenediol, 4-(2-nitroethenyl)-, (E)-

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 181.15
  Logarithm of the Partition Coefficient (xlogp); 1.5
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C8H7NO4
  IUPAC Name: 4-[(E)-2-nitroethenyl]benzene-1,2-diol
  Canonical SMILES: C1=CC(=C(C=C1/C=C/[N+](=O)[O-])O)O
  InChI: InChI=1S/C8H7NO4/c10-7-2-1-6(5-8(7)11)3-4-9(12)13/h1-5,10-11H/b4-3+
  InChIKey: LLJASJHXECDHOM-ONEGZZNKSA-N
• Cross-matching ID:
  PubChem CID: 6439158
  CAS Number: 108074-44-8
  TTD ID: D0L3SN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Epidermal growth factor receptor (EGFR)	TTGKNB4	EGFR_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Epidermal growth factor receptor (EGFR)	DTT	EGFR	5.84E-05	0.32	0.55

References

• [1] Protein-tyrosine kinase inhibition: mechanism-based discovery of antitumor agents. J Nat Prod. 1992 Nov;55(11):1529-60.