MMI-0100

Search structure
Synonyms:
Status: Phase 1
Entry Type: Protein
Molecule Category: UNKNOWN
UNII: 6VP6PBL1ZH

Structure
InChI Key NXUWTKIOMJSLSV-DEEZXRHXSA-N
Smile CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)C(C)C
InChI
InChI=1S/C98H171N37O26/c1-45(2)41-68(84(150)115-44-72(139)135-73(47(5)6)93(159)124-50(9)76(142)125-57(16)94(160)161)134-91(157)67(33-35-71(102)138)132-90(156)65(27-22-40-114-98(109)110)130-81(147)55(14)123-92(158)69(42-46(3)4)133-82(148)56(15)121-85(151)61(23-17-18-36-99)126-79(145)53(12)120-87(153)63(25-20-38-112-96(105)106)128-80(146)54(13)122-88(154)66(32-34-70(101)137)131-89(155)64(26-21-39-113-97(107)108)129-77(143)51(10)117-74(140)48(7)116-75(141)49(8)119-86(152)62(24-19-37-111-95(103)104)127-78(144)52(11)118-83(149)60(100)43-58-28-30-59(136)31-29-58/h28-31,45-57,60-69,73,136H,17-27,32-44,99-100H2,1-16H3,(H2,101,137)(H2,102,138)(H,115,150)(H,116,141)(H,117,140)(H,118,149)(H,119,152)(H,120,153)(H,121,151)(H,122,154)(H,123,158)(H,124,159)(H,125,142)(H,126,145)(H,127,144)(H,128,146)(H,129,143)(H,130,147)(H,131,155)(H,132,156)(H,133,148)(H,134,157)(H,135,139)(H,160,161)(H4,103,104,111)(H4,105,106,112)(H4,107,108,113)(H4,109,110,114)/t48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,73-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C98H171N37O26
Molecular Weight 2283.68
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

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase MAPKAPK family CAMK protein kinase MAPKAPK subfamily
- 22000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Inflammation 1 D007249 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL3809901
FDA SRS 6VP6PBL1ZH
PubChem 127043567
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