Bioactive Compound Details

BioIDbio132314
NameNITRAZEPAM
ChEMBL IDCHEMBL13209
Molecular FormulaC15H11N3O3
Molecular Weight281.27
Molecular Weight (Monoisotopic)281.08
TypeSmall molecule
Max PhasePhase 4
Target IDTar73
Target NameNone
SynonymsBENZALIN|MOGADON|N05CD02|NITRADOS|NITRAZEPAM|NITRAZEPAMUM|NSC-58775|REMNOS|RO 4-5360|RO 5-3059|RO-4-5360|RO-45360|RO-5-3059|RO-53059|SOMNITE|UNISOMNIA
SmilesO=C1CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc2N1
InchiInChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
Inchi KeyKJONHKAYOJNZEC-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets158.0
Bioactivities708.0
Np Likeness Score-0.73
Records Key['12', '5', '10', 'Nitrazepan', '135', 'nitrazepam', '51', '245', 'Nitrazepam', '5 (table I)', 'nitrazepam', 'Nitrazepam', '288, nitrazepam', 'Nitrazepam', 'Nitrazepam', 'Nitrazepam', 'NITRAZEPAM', 'NITRAZEPAM', 'SID29215277', 'NITRAZEPAM', 'nitrazepam', 'SID144205154', 'SID50086824', 'Nitrazepam', 'Suppl. Table 1, R53C1', 'NITRAZEPAM', 'NITRAZEPAM', '184', 'Nitrazepam', 'COVC-3899249884', 'Nitrazepam', 'Nitrazepam', 'Nitrazepam', 'SID170465667', 'Nitrazepam', 'NZP', '5', 'NITRAZEPAM', 'SAM001246711', 'nitrazepam']
Records Name['7-Nitro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one', '7-Nitro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one', '7-Nitro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one', '7-Nitro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one', '7-Nitro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one', '7-Nitro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one', '7-Nitro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one', 'Nitrazepam', '7-Nitro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one', '7-Nitro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one', '7-Nitro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one', 'Nitrazepam', '7-nitro-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one', 'Nitrazepam', 'Nitrazepam', 'Nitrazepam', 'NITRAZEPAM', 'NITRAZEPAM', 'SID29215277', 'Nitrazepam', 'nitrazepam', 'SID144205154', 'SID50086824', 'Nitrazepam', '7-nitro-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one', 'NITRAZEPAM', 'NITRAZEPAM', 'Nitrazepam', 'Nitrazepam', 'NITRAZEPAM', 'Nitrazepam', 'Nitrazepam', 'Nitrazepam', 'SID170465667', 'Nitrazepam', 'Nitrazepam', '7-nitro-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one', 'NITRAZEPAM', 'C0164821', 'nitrazepam']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure