EcoDrugPlus


Synonyms	KD-026 Slx-4090
Status
Molecule Category	Free-form
UNII	F84YQX13FV

Synonyms

KD-026

Slx-4090

Status

Molecule Category

Free-form

UNII

F84YQX13FV


InChI Key	AZUIUVJESCFSLJ-UHFFFAOYSA-N
Smiles	COc1cccc(C(=O)Nc2ccc3c(c2)CCN(C(=O)Oc2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1
InChI	InChI=1S/C31H25F3N2O4/c1-39-27-9-5-8-26(28(27)20-10-13-23(14-11-20)31(32,33)34)29(37)35-24-15-12-22-19-36(17-16-21(22)18-24)30(38)40-25-6-3-2-4-7-25/h2-15,18H,16-17,19H2,1H3,(H,35,37)

InChI Key

AZUIUVJESCFSLJ-UHFFFAOYSA-N

Smiles

COc1cccc(C(=O)Nc2ccc3c(c2)CCN(C(=O)Oc2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1

InChI

InChI=1S/C31H25F3N2O4/c1-39-27-9-5-8-26(28(27)20-10-13-23(14-11-20)31(32,33)34)29(37)35-24-15-12-22-19-36(17-16-21(22)18-24)30(38)40-25-6-3-2-4-7-25/h2-15,18H,16-17,19H2,1H3,(H,35,37)

Property Name	Value
Molecular Formula	C31H25F3N2O4
Molecular Weight	546.55
AlogP	7.19
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	67.87
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	40.0

Property Name

Value

Molecular Formula

C31H25F3N2O4

Molecular Weight

546.55

AlogP

7.19

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

5.0

Polar Surface Area

67.87

Molecular species

NEUTRAL

Aromatic Rings

4.0

Heavy Atoms

40.0

Mechanism of Action	Action	Reference
Microsomal triglyceride transfer protein inhibitor	INHIBITOR	Other PubMed

Mechanism of Action

Action

Reference

Microsomal triglyceride transfer protein inhibitor

INHIBITOR

Other PubMed

Resources	Reference
ChEMBL	CHEMBL4297326
DrugBank	DB05678
FDA SRS	F84YQX13FV
PubChem	53497429
SureChEMBL	SCHEMBL14585862
ZINC	ZINC000072316409

Resources

Reference

ChEMBL

DrugBank

FDA SRS

PubChem

SureChEMBL

ZINC

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

SLX-4090

Structure

Physicochemical Descriptors

Pharmacology

Cross References