Details of the Drug

General Information of Drug (ID: DM18ZLW)

Drug Name
IMP-321
Synonyms Soluble CD223 (cancer), Immutep; Soluble LAG-3 (cancer), Immutep
Indication
Disease Entry ICD 11 Status REF
Allergy 4A80-4A85 Phase 1/2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 5 Molecular Weight (mw) 1259.4
Logarithm of the Partition Coefficient (xlogp) -5.8
Rotatable Bond Count (rotbonds) 40
Hydrogen Bond Donor Count (hbonddonor) 17
Hydrogen Bond Acceptor Count (hbondacc) 19
Chemical Identifiers
Formula
C56H78N18O14S
IUPAC Name
(4R)-4-[[(2R)-6-amino-2-[[(2R)-2-[[4-(aminocarbamothioylamino)benzoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-5-[[(2R)-1-amino-6-[bis[2-[[4-[2-(1H-imidazol-5-yl)ethylamino]-4-oxobutanoyl]amino]acetyl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid
Canonical SMILES
C1=CC(=CC=C1C[C@H](C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCCCN(C(=O)CNC(=O)CCC(=O)NCCC2=CN=CN2)C(=O)CNC(=O)CCC(=O)NCCC3=CN=CN3)C(=O)N)NC(=O)C4=CC=C(C=C4)NC(=S)NN)O
InChI
InChI=1S/C56H78N18O14S/c57-23-3-1-6-41(70-55(88)43(27-34-7-13-39(75)14-8-34)72-52(85)35-9-11-36(12-10-35)68-56(89)73-59)53(86)71-42(15-20-50(82)83)54(87)69-40(51(58)84)5-2-4-26-74(48(80)30-64-46(78)18-16-44(76)62-24-21-37-28-60-32-66-37)49(81)31-65-47(79)19-17-45(77)63-25-22-38-29-61-33-67-38/h7-14,28-29,32-33,40-43,75H,1-6,15-27,30-31,57,59H2,(H2,58,84)(H,60,66)(H,61,67)(H,62,76)(H,63,77)(H,64,78)(H,65,79)(H,69,87)(H,70,88)(H,71,86)(H,72,85)(H,82,83)(H2,68,73,89)/t40-,41-,42-,43-/m1/s1
InChIKey
ONKCBKDTKZIWHZ-MRWFHJSOSA-N
Cross-matching ID
PubChem CID
72941955
CAS Number
928150-91-8
TTD ID
D0P9MW

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Lymphocyte activation gene 3 protein (LAG3) TTNVXAW LAG3_HUMAN Immunomodulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT01308294) Immunotherapy of HLA-A2 Positive Stage II-IV Melanoma Patients. U.S. National Institutes of Health.
2 A soluble form of lymphocyte activation gene-3 (IMP321) induces activation of a large range of human effector cytotoxic cells. J Immunol. 2007 Sep 15;179(6):4202-11.