Details of the Drug

General Information of Drug (ID: DMZ2YBE)

Drug Name
Lexipafant
Synonyms
LEXIPAFANT; 139133-26-9; UNII-H14917M9YW; BB-882; CHEMBL322832; H14917M9YW; DO6; Lexipafant [USAN:INN:BAN]; BB 882; Lexipafant (USAN/INN); SCHEMBL194598; ZINC1851122; BDBM50048485; N-Methyl-N-((alpha-(2-methyl-1H-imidazo(4,5-c)pyridin-1-yl)-p-tolyl)sulfonyl)-L-leucine, ethyl ester; D04724; L-Leucine, N-methyl-N-((4-((2-methyl-1H-imidazo(4,5-c)pyridin-1-yl)ethyl)phenyl)sulfonyl)-, ethyl ester; ETHYL4-METHYL-2-[METHYL-[4-[(2-METHYLIMIDAZO[4,5-C]PYRIDIN-1-YL)METHYL]PHENYL]SULFONYLAMINO]PENTANOATE; Benzothiadiazines
Indication
Disease Entry ICD 11 Status REF
Nerve injury ND56.4 Phase 2 [1]
Hepatovirus infection 1E51 Investigative [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 458.6
Logarithm of the Partition Coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C23H30N4O4S
IUPAC Name
ethyl (2S)-4-methyl-2-[methyl-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]sulfonylamino]pentanoate
Canonical SMILES
CCOC(=O)[C@H](CC(C)C)N(C)S(=O)(=O)C1=CC=C(C=C1)CN2C(=NC3=C2C=CN=C3)C
InChI
InChI=1S/C23H30N4O4S/c1-6-31-23(28)22(13-16(2)3)26(5)32(29,30)19-9-7-18(8-10-19)15-27-17(4)25-20-14-24-12-11-21(20)27/h7-12,14,16,22H,6,13,15H2,1-5H3/t22-/m0/s1
InChIKey
AQRXDPFOYJSPMP-QFIPXVFZSA-N
Cross-matching ID
PubChem CID
9804204
CAS Number
139133-26-9
TTD ID
D0I0UE
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Human immunodeficiency virus Reverse transcriptase (HIV RT) TT84ETX POL_HV1B1 Inhibitor [2]
Platelet-activating factor receptor (PTAFR) TTQL5VC PTAFR_HUMAN Modulator [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Nerve injury
ICD Disease Classification ND56.4
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Platelet-activating factor receptor (PTAFR) DTT PTAFR 3.53E-02 0.33 2.12
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Randomized, double-blind phase II trial of Lexipafant, a platelet-activating factor antagonist, in human acute pancreatitis. Br J Surg. 1995 Oct;82(10):1414-20.
2 Emerging antiviral drugs. Expert Opin Emerg Drugs. 2008 Sep;13(3):393-416.
3 Lexipafant and acute pancreatitis: a critical appraisal of the clinical trials.Eur J Surg.2002;168(4):215-9.