Details of the Drug

General Information of Drug (ID: DMR1PQI)

Drug Name

ORTD-1

Synonyms

Cyclic-(GVCRCICTRGFCRCLCRR); RTD-1; theta-Defensin 1; theta-Defensin RTD-1; oRTD-1; 251442-64-5; CHEMBL4073105; .theta.-Defensin 1; DTXSID60179822; BDBM50236198; 1-[3-[benzyl-tetrakis(3-guanidinopropyl)-[(1R)-1-hydroxyethyl]-isobutyl-isopropyl-[(1S)-1-methylpropyl]-octadecaoxo-[?]yl]propyl]guanidine

Indication

Disease Entry	ICD 11	Status	REF
Rheumatoid arthritis	FA20	Phase 1	[1]
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Drug Type

Small molecule

Structure

3D MOL is unavailable

2D MOL

Chemical Identifiers

Formula: C82H137N33O19S6
Canonical SMILES: CCC(C)C1C(=O)NC2CSSCC(C(=O)NC(C(=O)NC3CSSCC(C(=O)N1)NC(=O)C(NC(=O)C4CSSCC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N4)C(C)C)CCCNC(=N)N)CCCNC(=N)N)NC(=O)C(NC3=O)CC(C)C)CCCNC(=N)N)CCCNC(=N)N)NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC2=O)C(C)O)CCCNC(=N)N)CC5=CC=CC=C5
InChI: InChI=1S/C82H137N33O19S6/c1-8-41(6)60-76(133)112-56-38-140-136-34-52(110-68(125)50(30-43-17-10-9-11-18-43)100-57(117)31-98-63(120)45(20-13-25-94-79(85)86)105-77(134)61(42(7)116)115-74(56)131)70(127)103-47(22-15-27-96-81(89)90)65(122)107-53-35-137-139-37-55(73(130)114-60)108-66(123)48(23-16-28-97-82(91)92)104-71(128)54-36-138-135-33-51(109-67(124)49(29-39(2)3)106-72(53)129)69(126)102-46(21-14-26-95-80(87)88)64(121)101-44(19-12-24-93-78(83)84)62(119)99-32-58(118)113-59(40(4)5)75(132)111-54/h9-11,17-18,39-42,44-56,59-61,116H,8,12-16,19-38H2,1-7H3,(H,98,120)(H,99,119)(H,100,117)(H,101,121)(H,102,126)(H,103,127)(H,104,128)(H,105,134)(H,106,129)(H,107,122)(H,108,123)(H,109,124)(H,110,125)(H,111,132)(H,112,133)(H,113,118)(H,114,130)(H,115,131)(H4,83,84,93)(H4,85,86,94)(H4,87,88,95)(H4,89,90,96)(H4,91,92,97)/t41-,42+,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,59-,60-,61-/m0/s1
InChIKey: BEOLWJVNPROZQJ-AQSKNYQYSA-N

Cross-matching ID

PubChem CID: 16130642
TTD ID: DH5F4M

References

1	ClinicalTrials.gov (NCT04286789) A Randomized, Double-blind, Parallel, Vehicle Controlled, Repeat Dose Comparative Phase 1b Study to Evaluate the Safety, Tolerability and Pharmacokinetics of ORTD-1 in Rheumatoid Arthritis Patients With Mild Disease Managed With DMARDs. U.S.National Institutes of Health.