Details of the Drug

General Information of Drug (ID: DM5GL23)

• Drug Name: PMID25408830C1
• Synonyms: BAS 08314227; 4uyd; AC1LLXEX; ChemDiv2_002770; MLS000100042; GTPL7809; MolPort-001-912-793; HMS2483G18; HMS1376N20; ZINC812404; BDBM50032913; AKOS001788033; MCULE-4972680634; SMR000081748; V1T

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); 205.21
  Logarithm of the Partition Coefficient (xlogp); 0.3
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C10H11N3O2
  IUPAC Name: 1,3-dimethyl-2-oxobenzimidazole-5-carboxamide
  Canonical SMILES: CN1C2=C(C=C(C=C2)C(=O)N)N(C1=O)C
  InChI: InChI=1S/C10H11N3O2/c1-12-7-4-3-6(9(11)14)5-8(7)13(2)10(12)15/h3-5H,1-2H3,(H2,11,14)
  InChIKey: BRBLVCVSNVSPMT-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 1091852
  TTD ID: D09ZPM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bromodomain and PHD finger containing 1 (BRPF1)	TTT46BN	BRPF1_HUMAN	Inhibitor	[1]
Bromodomain-containing protein 4 (BRD4)	TTRA6BO	BRD4_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
Bromodomain-containing protein 4 (BRD4)	DTT	BRD4	3.27E-01	0.02	0.04

References

• [1] 1,3-Dimethyl Benzimidazolones Are Potent, Selective Inhibitors of the BRPF1 Bromodomain. ACS Med Chem Lett. 2014 Sep 10;5(11):1190-5.