KEGG   DRUG: TestolactoneHelp
Entry
D00153                      Drug                                   

Name
Testolactone (USP/INN);
Teslac (TN)
Formula
C19H24O3
Exact mass
300.1725
Mol weight
300.3921
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01596  Aromatase inhibitor
Remark
Same as: C02197
Efficacy
Antineoplastic
Target
CYP19A1 (ARO) [HSA:1588] [KO:K07434]
  Pathway
hsa00140  Steroid hormone biosynthesis
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Cytochrome P450
    CYP19A1 (ARO)
     D00153  Testolactone (USP/INN)
BRITE hierarchy
Other DBs
CAS: 968-93-4
PubChem: 7847221
ChEBI: 9460
ChEMBL: CHEMBL1489751 CHEMBL1571
DrugBank: DB00894
LigandBox: D00153
NIKKAJI: J7.201J
LinkDB All DBs
KCF data Show

ATOM        22
            1   C1y C    24.3153  -17.9421
            2   C1z C    23.0901  -18.6479
            3   C1y C    25.5171  -18.6479
            4   C1x C    24.3153  -16.5419
            5   C2y C    23.0901  -20.0656
            6   C2x C    21.8766  -17.9421
            7   C1a C    23.0901  -17.3295
            8   C1y C    26.7248  -17.9653
            9   C1x C    25.5171  -20.0656
            10  C1x C    25.5171  -15.8768
            11  C1x C    24.3153  -20.7657
            12  C2x C    21.8766  -20.7657
            13  C2x C    20.6690  -18.6479
            14  C1z C    26.7248  -16.5943
            15  C1x C    27.9384  -18.6713
            16  C5x C    20.6690  -20.0656
            17  O7x O    27.9267  -15.8942
            18  C1a C    26.7248  -15.1533
            19  C1x C    29.1460  -17.9945
            20  C7x C    29.1460  -16.5943
            21  O6a O    30.3535  -15.8942
            22  O5x O    19.4596  -20.7623
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 2
            12    6  13 2
            13    8  14 1
            14    8  15 1
            15   12  16 1
            16   14  17 1
            17   14  18 1 #Up
            18   15  19 1
            19   17  20 1
            20   20  21 2
            21    9  11 1
            22   10  14 1
            23   13  16 1
            24   19  20 1
            25   16  22 2

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