Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00085
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| Drug Name |
Pentamidine
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| Synonyms |
1,3-BIS(4-AMIDINOPHENOXY)PENTANE; 4, 4'-Diamidinodiphenoxypentane; 4,4'-(1,5-Pentanediylbis(oxy))bis-benzenecarboximidamide; 4,4'-(Pentamethylenedioxy)dibenzamide; 4,4'-(Pentamethylenedioxy)dibenzamidine; 4,4'-Diamidino-.alpha.,.omega.-diphenoxypentane; 4,4'-Diamidinodiphenoxypentane; 4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide; 4-[5-(4-Carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; Benzenecarboximidamide, 4,4'-(1,5-pentanediylbis(oxy))bis-(9CI); Lomidine; Lomidine (TN); MB 800; MB-800; Nebupent; Nebupent (*Isethionate); Nebupent (as isethionate); P,p'-(Pentamethylene-dioxy)bis-benzamidine; P,p'-(Pentamethylenedioxy)bis[benzamidine]; P,p'-(Pentamethylenedioxy)dibenzamidine; PENTAM; PENTAMIDINE ISETHIONATE; PNT; Pentacarinat; Pentacarinat (as isethionate); Pentam 300; Pentam 300 (*Isethionate); Pentam 300 (as isethionate); Pentamide; Pentamidin; Pentamidina; Pentamidina [DCIT]; Pentamidine (INN); Pentamidine Isethionate 2-Hydroxy-Ethanesulfonic Acid;Pentamidine [INN:BAN:DCF]; Pentamidine isetionate; Pentamidine mesylate; Pentamidinum; Pentamidinum [INN-Latin]; Pneumopent; RP 2512 (*Isethionate); RP-2512
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| Drug Type |
Small molecular drug
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| Indication | Human immunodeficiency virus infection [ICD11:1C62.Z] | Approved | [1] | |||
| Therapeutic Class |
Antifungal Agents
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C19H24N4O2
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| Canonical SMILES |
C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N
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| InChI |
InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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| InChIKey |
XDRYMKDFEDOLFX-UHFFFAOYSA-N
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| CAS Number |
CAS 100-33-4
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| Pharmaceutical Properties | Molecular Weight | 340.4 | Topological Polar Surface Area | 118 | ||
| Heavy Atom Count | 25 | Rotatable Bond Count | 10 | |||
| Hydrogen Bond Donor Count | 4 | Hydrogen Bond Acceptor Count | 4 | |||
| XLogP |
2.6
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| PubChem CID | ||||||
| PubChem SID |
103167313
,103927078
,104307277
,11371352
,11374018
,11446573
,11467701
,11484026
,11486282
,11487971
,11490092
,11492195
,117524407
,14802371
,24262996
,26697116
,26704279
,29223821
,46508562
,47515246
,47810678
,47810679
,47959662
,48110386
,48184930
,48416390
,49698900
,49829609
,49877520
,50096576
,50123735
,50123736
,53787921
,57322420
,596087
,75273
,7687717
,78291630
,7889974
,7980274
,81061089
,8152906
,85256751
,85261596
,88835490
,90944750
,92308870
,92711694
,96025020
,9624
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| ChEBI ID |
ChEBI:45081
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | 1-Oct | Transporter Info | Organic cation transporter 1 | Substrate | [2] | |
| Drug-Transporter Activity Data | ||||||
| Drug-Transporter Activity Data | 1-Oct | Transporter Info | Km =36.4 microM | Chinese hamster ovary (CHO) cells-OCT1 | [2] | |
| References | ||||||
| 1 | Pentamidine was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Transport of dicationic drugs pentamidine and furamidine by human organic cation transporters. Drug Metab Dispos. 2009 Feb;37(2):424-30. | |||||
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