Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00282
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| Drug Name |
L-histidine
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| Synonyms |
Histidine
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| Drug Type |
Small molecular drug
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| Indication | HARS Syndrome [ICD11:N.A.] | Phase 2/3 | [1] | |||
| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C6H9N3O2
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| Canonical SMILES |
C1=C(NC=N1)CC(C(=O)O)N
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| InChI |
InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1
|
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| InChIKey |
HNDVDQJCIGZPNO-YFKPBYRVSA-N
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| CAS Number |
CAS 71-00-1
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| Pharmaceutical Properties | Molecular Weight | 155.15 | Topological Polar Surface Area | 92 | ||
| Heavy Atom Count | 11 | Rotatable Bond Count | 3 | |||
| Hydrogen Bond Donor Count | 3 | Hydrogen Bond Acceptor Count | 4 | |||
| XLogP |
-3.2
|
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| PubChem CID | ||||||
| PubChem SID |
10533543
,11108714
,11111281
,14716013
,15170951
,15321675
,15321676
,24877543
,24895605
,24895728
,24895816
,26702395
,26706813
,26706844
,26707943
,26713139
,29225269
,3136567
,3435
,46392155
,46392410
,46507001
,47960030
,48416085
,49747685
,49856391
,50111080
,53787754
,56269952
,57323310
,57651378
,57654248
,587554
,609693
,75529724
,7847100
,81044555
,81067341
,8145060
,8153954
,824156
,83549210
,85164887
,87235989
,87570592
,88835368
,90340851
,92297850
,99224367
,99452993
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| ChEBI ID |
ChEBI:15971
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | LAT1 | Transporter Info | L-type amino acid transporter 1 | Substrate | [2] | |
| PHT2 | Transporter Info | Peptide/histidine transporter 2 | Substrate | [3] | ||
| PTR4 | Transporter Info | Peptide transporter 4 | Substrate | [4] | ||
| Drug-Transporter Activity Data | ||||||
| Drug-Transporter Activity Data | PTR4 | Transporter Info | Km =16.3 microM | Xenopus laevis oocytes-PTR4 | [4] | |
| References | ||||||
| 1 | ClinicalTrials.gov (NCT02924935) Histidine Therapy: A Project to Treat HARS Deficiency | |||||
| 2 | The Human SLC7A5 (LAT1): The Intriguing Histidine/Large Neutral Amino Acid Transporter and Its Relevance to Human Health. Front Chem. 2018 Jun 22;6:243. | |||||
| 3 | Di- and tripeptide transport in vertebrates: the contribution of teleost fish models. J Comp Physiol B. 2017 Apr;187(3):395-462. | |||||
| 4 | Functional Characterization of Human Peptide/Histidine Transporter 1 in Stably Transfected MDCK Cells. Mol Pharm. 2018 Feb 5;15(2):385-393. | |||||
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