Details of the Drug

General Information of Drug (ID: DMVGN42)

Drug Name

TRX-818

Synonyms

CVM-1118; ZRPWVAHVWBPHID-UHFFFAOYSA-L; TRX-818 sodium; TRX818; EX-A580; MolPort-044-567-575; CVM-1118(CVM1118); B5932; J-690105; (2'S,3R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-N-((1r,4R)-4-hydroxycyclohexyl)-2'-neopentyl-2-oxospiro[indoline-3,3'-pyrroli dine]-5'-carboxamide

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Phase 1	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

393.21

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

2

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

7

Chemical Identifiers

Formula: C16H11FNNa2O5P
IUPAC Name: disodium;2-(3-fluorophenyl)-6-methoxy-5-phosphonato-1H-quinolin-4-one
Canonical SMILES: COC1=C(C2=C(C=C1)NC(=CC2=O)C3=CC(=CC=C3)F)P(=O)([O-])[O-].[Na+].[Na+]
InChI: InChI=1S/C16H13FNO5P.2Na/c1-23-14-6-5-11-15(16(14)24(20,21)22)13(19)8-12(18-11)9-3-2-4-10(17)7-9;;/h2-8H,1H3,(H,18,19)(H2,20,21,22);;/q;2*+1/p-2
InChIKey: ZRPWVAHVWBPHID-UHFFFAOYSA-L

Cross-matching ID

PubChem CID: 124080980
TTD ID: D00VUN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Angiogenesis (AGG)	TTB8Y9K	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)