Details of the Drug

General Information of Drug (ID: DMFNR75)

Drug Name
SYN-1327
Synonyms SYN-1327; CHEMBL443697
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 5 Molecular Weight (mw) 1513.8
Logarithm of the Partition Coefficient (xlogp) -2.4
Rotatable Bond Count (rotbonds) 41
Hydrogen Bond Donor Count (hbonddonor) 18
Hydrogen Bond Acceptor Count (hbondacc) 21
Chemical Identifiers
Formula
C70H100N18O16S2
IUPAC Name
(2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-methyl-3-sulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]acetyl]-methylamino]acetyl]-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoic acid
Canonical SMILES
C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](C(C)(C)S)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CCCN=C(N)N)N)O
InChI
InChI=1S/C70H100N18O16S2/c1-39(2)28-53(64(99)82-50(31-43-22-24-45(90)25-23-43)67(102)88-27-15-21-52(88)63(98)83-51(37-105)68(103)104)87(7)56(93)36-86(6)55(92)35-77-60(95)47(29-41-16-10-8-11-17-41)81-61(96)49(32-44-33-74-38-78-44)79-54(91)34-76-65(100)57(40(3)89)84-66(101)58(70(4,5)106)85-62(97)48(30-42-18-12-9-13-19-42)80-59(94)46(71)20-14-26-75-69(72)73/h8-13,16-19,22-25,33,38-40,46-53,57-58,89-90,105-106H,14-15,20-21,26-32,34-37,71H2,1-7H3,(H,74,78)(H,76,100)(H,77,95)(H,79,91)(H,80,94)(H,81,96)(H,82,99)(H,83,98)(H,84,101)(H,85,97)(H,103,104)(H4,72,73,75)/t40-,46+,47+,48+,49+,50+,51+,52+,53+,57+,58-/m1/s1
InChIKey
AJONUWHGRIXLLX-SCOIVGQKSA-N
Cross-matching ID
PubChem CID
25090771
TTD ID
D0QR7C

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Neonatal Fc receptor (FCGRT) TTKLPHO FCGRN_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Structure-activity relationships of a peptide inhibitor of the human FcRn:human IgG interaction. Bioorg Med Chem. 2008 Jun 15;16(12):6394-405.