EcoDrugPlus


Synonyms	CVM-1118 CVM-1118 FREE ACID Cvm-1118 Foslinanib TRX-818 TRX-818 FREE ACID Trx 818
Status
Molecule Category	UNKNOWN
UNII	2X2DNM7NGX

Synonyms

CVM-1118

CVM-1118 FREE ACID

Cvm-1118

Foslinanib

TRX-818

TRX-818 FREE ACID

Trx 818

Status

Molecule Category

UNKNOWN

UNII

2X2DNM7NGX


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	ZDWFMAHQGDEALT-UHFFFAOYSA-N
Smiles	COc1ccc2[nH]c(-c3cccc(F)c3)cc(=O)c2c1OP(=O)(O)O
InChI	InChI=1S/C16H13FNO6P/c1-23-14-6-5-11-15(16(14)24-25(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)

InChI Key

ZDWFMAHQGDEALT-UHFFFAOYSA-N

Smiles

COc1ccc2[nH]c(-c3cccc(F)c3)cc(=O)c2c1OP(=O)(O)O

InChI

InChI=1S/C16H13FNO6P/c1-23-14-6-5-11-15(16(14)24-25(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)

Property Name	Value
Molecular Formula	C16H13FNO6P
Molecular Weight	365.25
AlogP	2.81
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	4.0
Polar Surface Area	108.85
Molecular species	ACID
Aromatic Rings	3.0
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C16H13FNO6P

Molecular Weight

365.25

AlogP

2.81

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

4.0

Polar Surface Area

108.85

Molecular species

ACID

Aromatic Rings

3.0

Heavy Atoms

25.0

Resources	Reference
ChEMBL	CHEMBL1615993
DrugBank	DB16172
FDA SRS	2X2DNM7NGX
PubChem	49840582
SureChEMBL	SCHEMBL339272
ZINC	ZINC000064447756

Resources

Reference

ChEMBL

DrugBank

FDA SRS

PubChem

SureChEMBL

ZINC


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

FOSLINANIB

Structure

Physicochemical Descriptors

Cross References