KEGG   DRUG: Fosdenopterin hydrobromide
Entry
D11780                      Drug                                   

Name
Fosdenopterin hydrobromide (USAN);
Fosdenopterin hydrobromide dihydrate;
Nulibry (TN)
Product
Formula
C10H14N5O8P. 2H2O. HBr
Exact mass
479.0053
Mol weight
480.1631
Structure
Remark
ATC code: A16AX19
Chemical structure group: DG03102
Product (DG03102): D11780<US>
Efficacy
Cofactor replacement
  Disease
Molybdenum cofactor deficiency type A [DS:H02311]
Comment
Cofactor replacement therapy
Treatment of molybdenum cofactor deficiency, type A
Target
MOCS1* [HSA_VAR:4337v1] [HSA:4337] [KO:K20967]
  Pathway
hsa00790  Folate biosynthesis
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A16 OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
   A16A OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
    A16AX Various alimentary tract and metabolism products
     A16AX19 Fosdenopterin
      D11780  Fosdenopterin hydrobromide (USAN) <US>
Target-based classification of drugs [BR:br08310]
 Enzymes
  Lyases (EC4)
   Moco biosynthesis enzyme
    MOCS1* [HSA_VAR:4337v1]
     D11780  Fosdenopterin hydrobromide (USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11780
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11780
Pharmacogenomic biomarkers [br08341.html]
 Germline mutations in genetic disorder treatments
  D11780
Other DBs
CAS: 2301083-34-9
PubChem: 405226646
ChEMBL: CHEMBL4594300
LinkDB
KCF data

ATOM        27
            1   C8y C    16.2404  -17.2204
            2   C8y C    16.2404  -15.8204
            3   C8y C    15.0504  -15.1204
            4   N5x N    13.7903  -15.8204
            5   C8y C    13.7903  -17.2204
            6   N4x N    15.0504  -17.9204
            7   N1x N    17.4304  -17.9204
            8   C1y C    18.6905  -17.2204
            9   C1y C    18.6905  -15.8204
            10  N1x N    17.4304  -15.1204
            11  O2x O    19.8805  -17.9204
            12  C1y C    21.0705  -17.2204
            13  C1y C    21.0705  -15.8204
            14  C1z C    19.8805  -15.1204
            15  C1x C    22.3305  -17.9204
            16  O2x O    23.5206  -17.2204
            17  P1b P    23.5206  -15.8204
            18  O2x O    22.3305  -15.1204
            19  O5x O    15.0504  -13.7203
            20  O1a O    20.5805  -13.9303
            21  O1a O    19.1805  -13.9303
            22  O1c O    24.7106  -16.5204
            23  O1c O    23.5206  -14.4203
            24  N1a N    12.6003  -17.9204
            25  X   Br   27.5100  -15.0500
            26  O0  O    28.1400  -18.6200
            27  O0  O    28.1400  -18.6200
BOND        27
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    2  10 1
            12    8  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16    9  14 1
            17   12  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   13  18 1
            22    3  19 2
            23   14  20 1
            24   14  21 1
            25   17  22 1
            26   17  23 2
            27    5  24 1
BRACKET     1    26.0400  -19.3200   26.0400  -17.6400
            1    28.9800  -17.6400   28.9800  -19.3200
            1  2
 ORIGINAL  1   30
 REPEAT    1   31

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