[18F]-FBA-A20FMDV2

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

Structure
InChI Key LXFYUKLDFCXXMA-IBQCUMGVSA-N
Smile CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc([18F])cc1)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C)C(C)C
InChI
InChI=1S/C100H167FN32O28/c1-45(2)38-62(89(152)115-51(13)80(143)120-60(30-32-69(103)135)85(148)122-58(22-17-18-34-102)86(149)129-75(48(7)8)96(159)117-52(14)81(144)119-59(24-20-36-113-100(110)111)87(150)132-78(54(16)134)79(107)142)128-97(160)76(49(9)10)130-88(151)61(31-33-70(104)136)123-92(155)64(40-47(5)6)126-94(157)67(43-74(140)141)118-73(139)44-114-84(147)57(23-19-35-112-99(108)109)121-91(154)63(39-46(3)4)125-93(156)66(42-72(106)138)127-95(158)68-25-21-37-133(68)98(161)77(50(11)12)131-82(145)53(15)116-90(153)65(41-71(105)137)124-83(146)55-26-28-56(101)29-27-55/h26-29,45-54,57-68,75-78,134H,17-25,30-44,102H2,1-16H3,(H2,103,135)(H2,104,136)(H2,105,137)(H2,106,138)(H2,107,142)(H,114,147)(H,115,152)(H,116,153)(H,117,159)(H,118,139)(H,119,144)(H,120,143)(H,121,154)(H,122,148)(H,123,155)(H,124,146)(H,125,156)(H,126,157)(H,127,158)(H,128,160)(H,129,149)(H,130,151)(H,131,145)(H,132,150)(H,140,141)(H4,108,109,112)(H4,110,111,113)/t51-,52-,53-,54+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,75-,76-,77-,78-/m0/s1/i101-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C100H167FN32O28
Molecular Weight 2283.63
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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Idiopathic Pulmonary Fibrosis 1 D054990 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL504111
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