KEGG   DRUG: Verosudil hydrochloride
Entry
D10738                      Drug                                   
Name
Verosudil hydrochloride (USAN)
Formula
C17H17N3O2S. HCl
Exact mass
363.0808
Mol weight
363.86
Structure
Simcomp
Remark
Chemical structure group: DG01867
Efficacy
Antiglaucoma, Rho-associated kinase inhibitor
Comment
Treatment of glaucoma, ocular hypertension
Target
ROCK [HSA:6093 9475] [KO:K04514 K17388]
  Pathway
hsa04270  Vascular smooth muscle contraction
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   AGC group
    ROCK
     D10738  Verosudil hydrochloride (USAN)
Other DBs
CAS: 1414854-44-6
PubChem: 254741699
LinkDB
KCF data

ATOM        24
            1   C8y C    21.6300  -17.1500
            2   C8x C    21.6300  -18.5500
            3   C8x C    22.8200  -19.2500
            4   C8y C    24.0800  -18.5500
            5   C8y C    24.0800  -17.1500
            6   C8x C    22.8200  -16.4500
            7   C8y C    25.2700  -19.2500
            8   N4x N    26.4600  -18.5500
            9   C8x C    26.4600  -17.1500
            10  C8x C    25.2700  -16.4500
            11  N1b N    20.4400  -16.4500
            12  C5a C    19.1800  -17.1500
            13  O5a O    19.1800  -18.5500
            14  C1c C    17.9900  -16.4500
            15  N1c N    16.8000  -17.1500
            16  C1a C    16.8000  -18.5500
            17  C1a C    15.5400  -16.4500
            18  C8y C    17.9900  -15.0500
            19  C8x C    19.1100  -14.2100
            20  C8x C    18.6900  -12.8800
            21  S2x S    17.2900  -12.8800
            22  C8x C    16.8700  -14.2100
            23  O5x O    25.2700  -20.6500
            24  X   Cl   30.3100  -18.7600
BOND        25
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    1  11 1
            13   11  12 1
            14   12  13 2
            15   12  14 1
            16   14  15 1
            17   15  16 1
            18   15  17 1
            19   14  18 1
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 1
            24   18  22 2
            25    7  23 2

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