| Entry |
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| Name |
Clemastine (USAN)
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| Formula |
C21H26ClNO
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| Exact mass |
343.1703
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| Mol weight |
343.8902
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| Structure |
     |
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| Activity |
Antihistaminic
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| Remark |
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| Target |
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| Pathway |
hsa04020 Calcium signaling pathway
hsa04080 Neuroactive ligand-receptor interaction | |
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| Interaction |
CYP inhibition: CYP2D6 [HSA: 1565]
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| Structure map |
| Histamine H1 receptor antagonists |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
D DERMATOLOGICALS
D04 ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
D04A ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
D04AA Antihistamines for topical use
D04AA14 Clemastine
D03535 Clemastine (USAN)
R RESPIRATORY SYSTEM
R06 ANTIHISTAMINES FOR SYSTEMIC USE
R06A ANTIHISTAMINES FOR SYSTEMIC USE
R06AA Aminoalkyl ethers
R06AA04 Clemastine
D03535 Clemastine (USAN)
USP drug classification [BR:br08302]
Respiratory Tract Agents
Antihistamines
Histamine1 (H1) Receptor Antagonists, Sedating
Clemastine
D03535 Clemastine (USAN)
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Histamine
H1-receptor [HSA:3269] [KO:K04149]
Clemastine [ATC:D04AA14 R06AA04]
D03535 Clemastine (USAN)
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| Other DBs |
CAS: 15686-51-8 PubChem: DrugBank: LigandBox: NIKKAJI: |
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| KCF data |
ATOM 24
1 C1y C 12.6951 -14.0046
2 N1y N 12.6951 -12.6046
3 C1a C 11.4619 -11.8926
4 C1x C 14.0266 -14.4373
5 C1x C 14.8495 -13.3046
6 C1x C 14.0266 -12.1720
7 C8x C 5.4600 -16.8000
8 C8y C 5.4600 -18.2000
9 C8x C 6.6724 -18.9000
10 C8x C 7.8849 -18.2000
11 C8y C 7.8849 -16.8000
12 C8x C 6.6724 -16.1000
13 C1d C 9.0973 -16.1000
14 X Cl 4.2476 -18.9000
15 O2a O 9.0973 -14.7000
16 C1b C 10.3118 -13.9988
17 C1b C 11.5083 -14.6898
18 C8x C 10.3097 -18.2000
19 C8y C 10.3097 -16.8000
20 C8x C 11.5222 -18.9000
21 C8x C 12.7346 -18.2000
22 C8x C 12.7346 -16.8000
23 C8x C 11.5222 -16.1000
24 C1a C 7.8849 -15.4000
BOND 26
1 1 2 1
2 2 3 1
3 1 4 1
4 4 5 1
5 5 6 1
6 2 6 1
7 7 8 2
8 8 9 1
9 9 10 2
10 10 11 1
11 11 12 2
12 7 12 1
13 11 13 1
14 8 14 1
15 13 15 1
16 15 16 1
17 16 17 1
18 18 19 1
19 18 20 2
20 20 21 1
21 21 22 2
22 22 23 1
23 19 23 2
24 13 19 1 #Down
25 13 24 1 #Up
26 1 17 1 #Down
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