| Entry |
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| Name |
Levosimendan (USAN/INN);
Simdax (TN)
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| Formula |
C14H12N6O
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| Exact mass |
280.1073
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| Mol weight |
280.2847
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| Structure |
     |
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| Activity |
Treatment of congestive heart failure [cardiotonic;
positive inotrope;
vasodilator]
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| Remark |
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| Target |
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| Pathway |
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| Interaction |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C01 CARDIAC THERAPY
C01C CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
C01CX Other cardiac stimulants
C01CX08 Levosimendan
D04720 Levosimendan (USAN/INN)
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases
phosphodiesterase (PDE) III [HSA:5139 5140] [KO:K13296]
Levosimendan [ATC:C01CX08]
D04720 Levosimendan (USAN/INN)
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| Other DBs |
CAS: 141505-33-1 PubChem: DrugBank: LigandBox: NIKKAJI: |
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| KCF data |
ATOM 21
1 C8y C 21.3500 -17.5000
2 C8x C 21.3500 -18.9000
3 C8x C 20.1600 -19.6000
4 C8y C 18.9000 -18.9000
5 C8x C 18.9000 -17.5000
6 C8x C 20.1600 -16.8000
7 C2y C 17.7100 -19.6000
8 N2x N 17.7100 -21.0000
9 N1x N 16.4500 -21.7000
10 C5x C 15.2600 -21.0000
11 C1x C 15.2600 -19.6000
12 C1y C 16.4500 -18.9000
13 N1b N 22.5400 -16.8000
14 O5x O 14.0447 -21.6951
15 C1a C 16.4328 -17.5001
16 N2b N 23.7581 -17.4901
17 C2c C 24.9395 -16.7950
18 C3b C 26.1449 -17.4780
19 C3b C 24.9281 -15.4000
20 N3a N 24.9281 -14.0000
21 N3a N 27.3573 -18.1780
BOND 22
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 7 12 1
14 1 13 1
15 10 14 2
16 12 15 1 #Up
17 13 16 1
18 16 17 2
19 17 18 1
20 17 19 1
21 19 20 3
22 18 21 3
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