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
Structure
3D MOL 2D MOL
#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
CAS Number
240814-54-4
TTD ID
D03OKV

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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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.