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]
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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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)

MEA Detail

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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.