Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00505
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| Drug Name |
Cilastatin
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| Synonyms |
(2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)hept-2-enoic acid; (Z)-(S)-6-carboxy-6-[(S)-2,2-dimethylcyclopropanecarboxamido]hex-5-enyl-L-cysteine; (Z)-7-[(2R)-2-amino-3-hydroxy-3-oxopropyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid; Cilastatin (INN); Cilastatin Monosodium Salt; Cilastatin [INN:BAN]; Cilastatin acid; Cilastatina; Cilastatina [Spanish]; Cilastatine; Cilastatine [French]; Cilastatinum; Cilastatinum [Latin]; MK-791; MK0791
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| Drug Type |
Small molecular drug
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| Indication | Bacterial infections [ICD11:1A00-1H0Z] | Unclear | ||||
| Therapeutic Class |
Antibiotics
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C16H26N2O5S
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| Canonical SMILES |
CC1(CC1C(=O)NC(=CCCCCSCC(C(=O)O)N)C(=O)O)C
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| InChI |
InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m1/s1
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| InChIKey |
DHSUYTOATWAVLW-WFVMDLQDSA-N
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| CAS Number |
CAS 82009-34-5
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| Pharmaceutical Properties | Molecular Weight | 358.5 | Topological Polar Surface Area | 155 | ||
| Heavy Atom Count | 24 | Rotatable Bond Count | 11 | |||
| Hydrogen Bond Donor Count | 4 | Hydrogen Bond Acceptor Count | 7 | |||
| XLogP |
-1
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| PubChem CID | ||||||
| PubChem SID |
103203584
,104133316
,114548412
,11621425
,126628216
,126655280
,126671064
,131327190
,134222536
,134337922
,135014438
,137129408
,137256909
,142803744
,14803328
,152101563
,15447933
,160846604
,160964834
,175267016
,178101856
,179680678
,196105993
,223682361
,226422952
,250133500
,43028732
,46505611
,4819
,49835265
,49975600
,50125939
,50707339
,51091997
,57367468
,92719468
,93166940
,93578311
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | OAT1 | Transporter Info | Organic anion transporter 1 | Substrate | [1] | |
| OAT3 | Transporter Info | Organic anion transporter 3 | Substrate | [1] | ||
| References | ||||||
| 1 | Organic anion transporters also mediate the drug-drug interaction between imipenem and cilastatin. Asian J Pharm Sci. 2020 Mar;15(2):252-263. | |||||
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