Drug Information
| General Information | ||||||
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| Drug ID |
DR01490
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| Drug Name |
[D-Ala2, D-Leu5]-enkephalin
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| Synonyms |
Dadle; 63631-40-3; H-TYR-D-ALA-GLY-PHE-D-LEU-OH; DADL; (D-Ala2,D-Leu5)-Enkephalin; [D-Ala2, D-Leu5]-enkephalin; CHEMBL340032; BW-180C; Tyr-D-Ala-Gly-Phe-D-Leu; (2R,5S,11R,14S)-14-Amino-5-benzyl-15-(4-hydroxyphenyl)-2-isobutyl-11-methyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecan-1-oic acid; (2R)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid; UNII-HB4QD9GL6F; HB4QD9GL6F; DADLE-OH; AC1OCEJN; ZINC14952092; H-Tyr-D-Ala-Gly-Phe-D-Leu
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| Drug Type |
Small molecular drug
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| Indication | Pain [ICD11:MG30-MG7Z] | Preclinical | [1] | |||
| Structure |
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| 3D MOL | 2D MOL | |||||
| Formula |
C29H39N5O7
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| Canonical SMILES |
CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)N
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| InChI |
InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1
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| InChIKey |
ZHUJMSMQIPIPTF-IBURTVSXSA-N
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| Pharmaceutical Properties | Molecular Weight | 569.6 | Topological Polar Surface Area | 200 | ||
| Heavy Atom Count | 41 | Rotatable Bond Count | 15 | |||
| Hydrogen Bond Donor Count | 7 | Hydrogen Bond Acceptor Count | 8 | |||
| XLogP |
-1.9
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| PubChem CID | ||||||
| PubChem SID | ||||||
| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | OATP1B1 | Transporter Info | Organic anion transporting polypeptide 1B1 | Substrate | [2] | |
| References | ||||||
| 1 | Wikipedia: DADLE | |||||
| 2 | Organic anion transporting polypeptide 1B1: a genetically polymorphic transporter of major importance for hepatic drug uptake. Pharmacol Rev. 2011 Mar;63(1):157-81. | |||||
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