Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00041
|
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| Drug Name |
Pralatrexate
|
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| Synonyms |
Folotyn (TN)
|
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| Drug Type |
Small molecular drug
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| Indication | Breast cancer [ICD11:2C60-2C6Z] | Approved | [1] | |||
| Peripheral T-cell lymphoma [ICD11:2A90.C] | Approved | [1] | ||||
| Structure |
|
 |
||||
| 3D MOL | 2D MOL | |||||
| Formula |
C23H23N7O5
|
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| Canonical SMILES |
C#CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
|
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| InChI |
InChI=1S/C23H23N7O5/c1-2-3-14(10-15-11-26-20-18(27-15)19(24)29-23(25)30-20)12-4-6-13(7-5-12)21(33)28-16(22(34)35)8-9-17(31)32/h1,4-7,11,14,16H,3,8-10H2,(H,28,33)(H,31,32)(H,34,35)(H4,24,25,26,29,30)/t14?,16-/m0/s1
|
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| InChIKey |
OGSBUKJUDHAQEA-WMCAAGNKSA-N
|
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| CAS Number |
CAS 146464-95-1
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| Pharmaceutical Properties | Molecular Weight | 477.5 | Topological Polar Surface Area | 207 | ||
| Heavy Atom Count | 35 | Rotatable Bond Count | 10 | |||
| Hydrogen Bond Donor Count | 5 | Hydrogen Bond Acceptor Count | 11 | |||
| XLogP |
-0.9
|
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| PubChem CID | ||||||
| PubChem SID |
10249810
,103771482
,104418267
,124950714
,126666101
,131408688
,134223179
,135692165
,136367814
,137248707
,141792755
,144206459
,144236486
,14761163
,14907808
,152106310
,152258219
,152344466
,160646081
,160647055
,164044033
,164232763
,164764489
,175427094
,175437712
,176484650
,178103446
,180191813
,184527271
,186014781
,198993109
,223392464
,223659651
,223702389
,225255488
,226410872
,240035409
,241036657
,243124404
,249868098
,252069088
,252214139
,252473148
,46225076
,47207252
,57346701
,76049103
,99437279
|
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| ChEBI ID |
CHEBI:71223
|
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | FLOT1 | Transporter Info | Folate transporter 1 | Substrate | [2] | |
| PCFT | Transporter Info | Proton-coupled folate transporter | Substrate | [2] | ||
| References | ||||||
| 1 | Pralatrexate was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Antifolates in cancer therapy: structure, activity and mechanisms of drug resistance. Drug Resist Updat. 2012 Aug;15(4):183-210. | |||||
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