EcoDrugPlus


Synonyms	LB 100 Lb-100
Status
Molecule Category	Free-form
UNII	0C1JUU9S0L

Synonyms

LB 100

Lb-100

Status

Molecule Category

Free-form

UNII

0C1JUU9S0L


InChI Key	JUQMLSGOTNKJKI-IZUQBHJASA-N
Smiles	CN1CCN(C(=O)C2C(C(=O)O)[C@H]3CC[C@@H]2O3)CC1
InChI	InChI=1S/C13H20N2O4/c1-14-4-6-15(7-5-14)12(16)10-8-2-3-9(19-8)11(10)13(17)18/h8-11H,2-7H2,1H3,(H,17,18)/t8-,9+,10?,11?/m0/s1

InChI Key

JUQMLSGOTNKJKI-IZUQBHJASA-N

Smiles

CN1CCN(C(=O)C2C(C(=O)O)[C@H]3CC[C@@H]2O3)CC1

InChI

InChI=1S/C13H20N2O4/c1-14-4-6-15(7-5-14)12(16)10-8-2-3-9(19-8)11(10)13(17)18/h8-11H,2-7H2,1H3,(H,17,18)/t8-,9+,10?,11?/m0/s1

Property Name	Value
Molecular Formula	C13H20N2O4
Molecular Weight	268.31
AlogP	-0.36
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	70.08
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C13H20N2O4

Molecular Weight

268.31

AlogP

-0.36

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

70.08

Molecular species

ACID

Aromatic Rings

0.0

Heavy Atoms

19.0

Mechanism of Action	Action	Reference
Serine/threonine protein phosphatase 2A, catalytic subunit, alpha isoform inhibitor	INHIBITOR	PubMed PubMed PubMed

Mechanism of Action

Action

Reference

Serine/threonine protein phosphatase 2A, catalytic subunit, alpha isoform inhibitor

INHIBITOR

PubMed PubMed PubMed

Resources	Reference
ChEMBL	CHEMBL4297300
DrugBank	DB15412
FDA SRS	0C1JUU9S0L
Guide to Pharmacology	11105
PubChem	45101433
SureChEMBL	SCHEMBL9880148

Resources

Reference

ChEMBL

CHEMBL4297300

DrugBank

DB15412

FDA SRS

0C1JUU9S0L

Guide to Pharmacology

11105

PubChem

45101433

SureChEMBL

SCHEMBL9880148

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

LB-100

Structure

Physicochemical Descriptors

Pharmacology

Cross References