Details of the Drug

General Information of Drug (ID: DMOLCFQ)

• Drug Name: BMS-279700
• Synonyms: BMS-279700; UNII-8FX9DP2Y1W; 8FX9DP2Y1W; CHEMBL189338; 240814-54-4; SCHEMBL4036209; BDBM50151366; Imidazo(1,5-a)pyrido(3,2-E)pyrazin-6-amine, N-(2-chloro-6-methylphenyl)-2-((3S)-3-methyl-1-piperazinyl)-

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); 407.9
  Logarithm of the Partition Coefficient (xlogp); 4.6
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C21H22ClN7
  IUPAC Name: N-(2-chloro-6-methylphenyl)-12-[(3S)-3-methylpiperazin-1-yl]-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine
  Canonical SMILES: C[C@H]1CN(CCN1)C2=NC3=C(C=C2)N=C(C4=CN=CN43)NC5=C(C=CC=C5Cl)C
  InChI: InChI=1S/C21H22ClN7/c1-13-4-3-5-15(22)19(13)27-20-17-10-23-12-29(17)21-16(25-20)6-7-18(26-21)28-9-8-24-14(2)11-28/h3-7,10,12,14,24H,8-9,11H2,1-2H3,(H,25,27)/t14-/m0/s1
  InChIKey: PUNYTBZWCMNSRO-AWEZNQCLSA-N
• Cross-matching ID:
  PubChem CID: 9844320
  ChEBI ID: CHEMBL189338
  CAS Number: 240814-54-4
  TTD ID: D03OKV
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Proto-oncogene c-Src (SRC)	TT6PKBN	SRC_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
Proto-oncogene c-Src (SRC)	DTT	SRC	6.45E-01	-0.08	-0.58
Proto-oncogene c-Src (SRC)	DTT	SRC	2.08E-03	-0.52	-1.62

References

• [1] Synthesis and c-Src inhibitory activity of imidazo[1,5-a]pyrazine derivatives as an agent for treatment of acute ischemic stroke. Bioorg Med Chem. 2007 Jan 15;15(2):868-85.