Details of the Drug

General Information of Drug (ID: DMJBGI1)

Drug Name
CL-184005
Synonyms
GF2IPH21J7; CL 184005; UNII-GF2IPH21J7; CL-184005; CHEMBL296973; 140466-18-8; CL-184,005; AC1L30Q7; DTXSID40161407; BDBM50001754; (2-methoxycarbonyl-3-tetradecoxyphenyl) [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] phosphate; ((CL 184005))3-{3-[Hydroxy-(2-methoxycarbonyl-3-tetradecyloxy-phenoxy)-phosphoryloxy]-benzyl}-5-methyl-thiazol-3-ium; 2-{Hydroxy-[3-(5-methyl-thiazol-3-ylmethyl)-phenoxy]-dihydrogen phosphate}-6-tetradecyloxy-benzoic acid methyl ester(CL 184005); Thiazolium, 3-((3-((hydroxy(2-(methoxycarbony
Indication
Disease Entry ICD 11 Status REF
Sepsis 1G40-1G41 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 3 Molecular Weight (mw) 631.8
Logarithm of the Partition Coefficient (xlogp) 10.2
Rotatable Bond Count (rotbonds) 22
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C33H46NO7PS
IUPAC Name
(2-methoxycarbonyl-3-tetradecoxyphenyl) [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] phosphate
Canonical SMILES
CCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)([O-])OC2=CC=CC(=C2)C[N+]3=CSC(=C3)C)C(=O)OC
InChI
InChI=1S/C33H46NO7PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-22-39-30-20-17-21-31(32(30)33(35)38-3)41-42(36,37)40-29-19-16-18-28(23-29)25-34-24-27(2)43-26-34/h16-21,23-24,26H,4-15,22,25H2,1-3H3
InChIKey
VGVUQNMRGKNUJA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
132290
CAS Number
140466-18-8
TTD ID
D05RBL

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Platelet-activating factor receptor (PTAFR) TTQL5VC PTAFR_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Sepsis
ICD Disease Classification 1G40-1G41
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 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800001674)
2 Studies of the effect of a platelet-activating factor antagonist, CL 184,005, in animal models of gram-negative bacterial sepsis. Antimicrob Agents Chemother. 1992 Sep;36(9):1971-7.