Details of the Drug

General Information of Drug (ID: DMRKE9G)

Drug Name

SRI-62-834

Synonyms

CRC-8605; Rac-2-[Hydroxy[2-(octadecyloxymethyl)tetrahydrofuran-2-ylmethoxy]phosphinyloxy]-N,N,N-trimethylethylamminium hydroxyde,inner salt P-oxide

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 3

Molecular Weight (mw)

549.8

Logarithm of the Partition Coefficient (xlogp)

7.9

Rotatable Bond Count (rotbonds)

26

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C29H60NO6P
IUPAC Name: [2-(octadecoxymethyl)oxolan-2-yl]methyl 2-(trimethylazaniumyl)ethyl phosphate
Canonical SMILES: CCCCCCCCCCCCCCCCCCOCC1(CCCO1)COP(=O)([O-])OCC[N+](C)(C)C
InChI: InChI=1S/C29H60NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-33-27-29(22-21-25-34-29)28-36-37(31,32)35-26-23-30(2,3)4/h5-28H2,1-4H3
InChIKey: OEWZGBLJCYAMEG-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Platelet-derived growth factor receptor alpha (PDGFRA)	TT8FYO9	PGFRA_HUMAN	Inhibitor	[2]
Platelet-derived growth factor receptor beta (PDGFRB)	TTI7421	PGFRB_HUMAN	Inhibitor	[3]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Solid tumour/cancer

ICD Disease Classification

2A00-2F9Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Platelet-derived growth factor receptor beta (PDGFRB)	DTT	PDGFRB	5.35E-10	0.36	0.89

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 800000818)
2	Antitumor activity of SRI 62-834, a cyclic ether analog of ET-18-OCH3. Lipids. 1987 Nov;22(11):884-90.
3	Therapeutic target database update 2012: a resource for facilitating target-oriented drug discovery. Nucleic Acids Res. 2012 Jan;40(Database issue):D1128-36.