EcoDrugPlus


Synonyms	Vb 201 Vb-201
Status
Molecule Category	Free-form
UNII	SJ5A8151JO

Datasets:

Active Pharmaceutical Ingredients

Bioactive chemicals

Agrochemicals

Human Metabolites

Search:

Exact

Similarity

SubStructure

Threshold (%) >= 70


InChI Key	JGGNOCUEWOGWPL-MUUNZHRXSA-N
Smiles	CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OCCCCC(=O)O
InChI	InChI=1S/C29H60NO8P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-35-26-28(36-24-20-18-21-29(31)32)27-38-39(33,34)37-25-22-30(2,3)4/h28H,5-27H2,1-4H3,(H-,31,32,33,34)/t28-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C29H60NO8P
Molecular Weight	581.77
AlogP	6.33
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	30.0
Polar Surface Area	114.35
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	39.0

Mechanism of Action	Action	Reference
Monocyte differentiation antigen CD14 inhibitor	INHIBITOR	PubMed

Target Conservation


Protein: Toll-like receptor 2 Description: Toll-like receptor 2 Organism : Homo sapiens O60603 ENSG00000137462

Cross References

Resources	Reference
ChEMBL	CHEMBL4297333
DrugBank	DB15259
FDA SRS	SJ5A8151JO
PubChem	45138527
SureChEMBL	SCHEMBL2071230

EcoDrug+ was developed under the PREMIER 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 EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

VB-201

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References