Details of the Drug

General Information of Drug (ID: DMVS6BN)

Drug Name
AGN-193080
Synonyms AGN-193080; CHEMBL298936; SCHEMBL8348700; BDBM50052882; L012655
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 232.28
Logarithm of the Partition Coefficient (xlogp) 0.7
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C12H16N4O
IUPAC Name
N-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine
Canonical SMILES
CC1=C(C=CC2=C1NCCO2)NC3=NCCN3
InChI
InChI=1S/C12H16N4O/c1-8-9(16-12-14-4-5-15-12)2-3-10-11(8)13-6-7-17-10/h2-3,13H,4-7H2,1H3,(H2,14,15,16)
InChIKey
OSJZLDGTMVBIRV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9837551
TTD ID
D0BC6Q

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adrenergic receptor alpha-1A (ADRA1A) TTNGILX ADA1A_HUMAN Inhibitor [1]
Adrenergic receptor alpha-1B (ADRA1B) TTBRKXS ADA1B_HUMAN Inhibitor [1]
Adrenergic receptor alpha-1D (ADRA1D) TT34BHT ADA1D_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Adrenergic receptor alpha-1A (ADRA1A) DTT ADRA1A 9.43E-01 -0.03 -0.25
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Analogs of UK 14,304: Structural features responsible for alpha2 adrenoceptor activity, Bioorg. Med. Chem. Lett. 5(15):1745-1750 (1995).