KEGG   DRUG: Adinazolam
Entry
D02770                      Drug                                   
Name
Adinazolam (USAN/INN)
Formula
C19H18ClN5
Exact mass
351.1251
Mol weight
351.8327
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01914  Anxiolytics, benzodiazepine derivatives
Remark
ATC code: N05BA07
Chemical structure group: DG00911
Efficacy
Antidepressant, Sedative-hypnotic
Comment
Benzodiazepine derivative
Target
GABR [HSA:2554 2555 2556 2557 2558 2559 2560 2561 2562 2563 2564 2565 2566 2567 2568 55879] [KO:K05175 K05181 K05184 K05185 K05186 K05189 K05192]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04727  GABAergic synapse
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05B ANXIOLYTICS
    N05BA Benzodiazepine derivatives
     N05BA07 Adinazolam
      D02770  Adinazolam (USAN/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01914  Anxiolytics, benzodiazepine derivatives
   DG00911  Adinazolam
    D02770  Adinazolam
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   GABA (ionotropic)
    GABR
     D02770  Adinazolam (USAN/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01914  Anxiolytics, benzodiazepine derivatives
   DG00911  Adinazolam
Other DBs
CAS: 37115-32-5
PubChem: 17396928
ChEBI: 251412
LigandBox: D02770
NIKKAJI: J19.718A
KCF data

ATOM        25
            1   C2y C    11.1259  -11.1671
            2   C8y C    10.3000  -10.0417
            3   C8y C    10.6577   -8.6876
            4   N4y N    11.9306   -8.1287
            5   N2x N    12.5341  -11.2150
            6   C8y C    13.1767   -8.7724
            7   C1x C    13.4417  -10.1485
            8   C8x C     9.6642   -7.7011
            9   C8x C     8.3132   -8.0683
            10  C8y C     7.9555   -9.4224
            11  C8x C     8.9490  -10.4088
            12  C8y C    10.4592  -12.4288
            13  C8x C     9.0302  -12.4818
            14  C8x C     8.3755  -13.7193
            15  C8x C     9.1200  -14.9050
            16  C8x C    10.5490  -14.9220
            17  C8x C    11.2036  -13.6145
            18  N5x N    14.1740   -7.7862
            19  N5x N    13.5442   -6.5330
            20  C8y C    12.1577   -6.7446
            21  C1b C    11.1723   -5.7481
            22  N1c N     9.7723   -5.7481
            23  C1a C     9.0760   -4.5418
            24  C1a C     9.0830   -6.9425
            25  X   Cl    6.6208   -9.7855
BOND        28
            1     3   4 1
            2     1   5 2
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     3   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    2  11 2
            13    1  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   12  17 1
            20    6  18 2
            21   18  19 1
            22   19  20 2
            23    4  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27   22  24 1
            28   10  25 1

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Ontology (3)   
   KEGG BRITE (3)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (4)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   NIKKAJI (1)   
Gene (23)   
   KEGG ORTHOLOGY (7)   
   KEGG GENES (16)   
All databases (32)   

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