BRIMAPITIDE, C-TERMINAL ACID

Search structure
Synonyms:
Status: Phase 3
Entry Type: Protein
Molecule Category: UNKNOWN
UNII: FU288768DP

Structure
InChI Key HRMVIAFZYCCHGF-BMCUWHFPSA-N
Smile CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CO)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CC(=O)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)O)[C@H](C)O)[C@H](C)O
InChI
InChI=1S/C164H285N65O41/c1-84(2)77-106(216-139(254)108(79-89-33-10-9-11-34-89)219-146(261)112-48-28-72-225(112)153(268)105(55-58-119(171)235)215-148(263)123(86(5)6)221-147(262)115-51-29-73-226(115)151(266)103(45-25-69-198-163(187)188)213-142(257)110(83-230)220-137(252)100(53-56-117(169)233)201-126(241)90(168)80-121(237)238)138(253)218-109(81-120(172)236)140(255)217-107(78-85(3)4)141(256)222-124(87(7)231)149(264)223-125(88(8)232)155(270)228-75-31-50-114(228)144(259)211-99(44-24-68-197-162(185)186)135(250)212-102(37-14-17-61-167)150(265)224-71-27-47-111(224)145(260)214-104(46-26-70-199-164(189)190)152(267)229-76-32-52-116(229)154(269)227-74-30-49-113(227)143(258)210-98(43-23-67-196-161(183)184)134(249)207-95(40-20-64-193-158(177)178)131(246)206-97(42-22-66-195-160(181)182)133(248)209-101(54-57-118(170)234)136(251)208-96(41-21-65-194-159(179)180)132(247)205-94(39-19-63-192-157(175)176)130(245)204-93(36-13-16-60-166)129(244)203-92(35-12-15-59-165)128(243)202-91(38-18-62-191-156(173)174)127(242)200-82-122(239)240/h9-11,33-34,84-88,90-116,123-125,230-232H,12-32,35-83,165-168H2,1-8H3,(H2,169,233)(H2,170,234)(H2,171,235)(H2,172,236)(H,200,242)(H,201,241)(H,202,243)(H,203,244)(H,204,245)(H,205,247)(H,206,246)(H,207,249)(H,208,251)(H,209,248)(H,210,258)(H,211,259)(H,212,250)(H,213,257)(H,214,260)(H,215,263)(H,216,254)(H,217,255)(H,218,253)(H,219,261)(H,220,252)(H,221,262)(H,222,256)(H,223,264)(H,237,238)(H,239,240)(H4,173,174,191)(H4,175,176,192)(H4,177,178,193)(H4,179,180,194)(H4,181,182,195)(H4,183,184,196)(H4,185,186,197)(H4,187,188,198)(H4,189,190,199)/t87-,88-,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,123+,124+,125+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C164H285N65O41
Molecular Weight 3823.5
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Pharmacology

Action Mechanism of Action Reference
INHIBITOR c-Jun N-terminal kinase 3 inhibitor PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hearing Loss 3 D034381 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297348
FDA SRS FU288768DP
PubChem 72941992
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