Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D03RCV
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| Former ID |
DIB014296
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| Drug Name |
D2A21
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| Synonyms |
Demegel (Demegen, US, US); Alanyl-L-phenylalanyl-L-alanyl-L-phenylalanine
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| Indication | Burn and burn infection [ICD-11: ND90-NE2Z; ICD-10: T20-T25] | Phase 3 | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C144H212N32O24
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| Canonical SMILES |
CC(C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC4=CC=CC=C4)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CC5=CC=CC=C5)C(=O)NC(C)C(=O)NC(CC6=CC=CC=C6)C(=O)NC(C)C(=O)NC(CC7=CC=CC=C7)C(=O)O)NC(=O)C(CC8=CC=CC=C8)N
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| InChI |
1S/C144H212N32O24/c1-91(155-128(183)105(154)83-97-49-15-7-16-50-97)122(177)161-106(65-31-40-74-145)129(184)165-111(70-36-45-79-150)134(189)172-117(86-100-55-21-10-22-56-100)139(194)156-93(3)124(179)163-108(67-33-42-76-147)131(186)167-114(73-39-48-82-153)137(192)175-120(89-103-61-27-13-28-62-103)143(198)169-110(69-35-44-78-149)132(187)168-113(72-38-47-81-152)136(191)174-119(88-102-59-25-12-26-60-102)140(195)157-92(2)123(178)162-107(66-32-41-75-146)130(185)166-112(71-37-46-80-151)135(190)173-118(87-101-57-23-11-24-58-101)141(196)158-94(4)125(180)164-109(68-34-43-77-148)133(188)171-116(85-99-53-19-9-20-54-99)142(197)159-95(5)126(181)170-115(84-98-51-17-8-18-52-98)138(193)160-96(6)127(182)176-121(144(199)200)90-104-63-29-14-30-64-104/h7-30,49-64,91-96,105-121H,31-48,65-90,145-154H2,1-6H3,(H,155,183)(H,156,194)(H,157,195)(H,158,196)(H,159,197)(H,160,193)(H,161,177)(H,162,178)(H,163,179)(H,164,180)(H,165,184)(H,166,185)(H,167,186)(H,168,187)(H,169,198)(H,170,181)(H,171,188)(H,172,189)(H,173,190)(H,174,191)(H,175,192)(H,176,182)(H,199,200)/t91-,92-,93-,94-,95-,96-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-/m0/s1
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| InChIKey |
WVRNJUBRGDUHNI-CPOCOYSOSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Bacterial Cell membrane (Bact CM) | Target Info | Modulator | [2] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Antimicrobial host defence peptides: functions and clinical potential. Nat Rev Drug Discov. 2020 May;19(5):311-332. | |||
| REF 2 | In Vitro Microbicidal Activities of Cecropin Peptides D2A21 and D4E1 and Gel Formulations Containing 0.1 to 2% D2A21 against Chlamydia trachomatis. Antimicrob Agents Chemother. 2002 January; 46(1): 34-41. | |||
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