EcoDrugPlus


Synonyms	SJ733 Sj-733 Sj733
Status
Molecule Category	Free-form
UNII	VT3A7NA96K

Synonyms

SJ733

Sj-733

Sj733

Status

Molecule Category

Free-form

UNII

VT3A7NA96K


InChI Key	VKCPFWKTFZAOTO-LEWJYISDSA-N
Smiles	N#Cc1cc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(F)(F)F)[C@@H]2c2cccnc2)ccc1F
InChI	InChI=1S/C24H16F4N4O2/c25-19-8-7-16(10-15(19)11-29)31-22(33)20-17-5-1-2-6-18(17)23(34)32(13-24(26,27)28)21(20)14-4-3-9-30-12-14/h1-10,12,20-21H,13H2,(H,31,33)/t20-,21+/m0/s1

InChI Key

VKCPFWKTFZAOTO-LEWJYISDSA-N

Smiles

N#Cc1cc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(F)(F)F)[C@@H]2c2cccnc2)ccc1F

InChI

InChI=1S/C24H16F4N4O2/c25-19-8-7-16(10-15(19)11-29)31-22(33)20-17-5-1-2-6-18(17)23(34)32(13-24(26,27)28)21(20)14-4-3-9-30-12-14/h1-10,12,20-21H,13H2,(H,31,33)/t20-,21+/m0/s1

Property Name	Value
Molecular Formula	C24H16F4N4O2
Molecular Weight	468.41
AlogP	4.57
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	86.09
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	34.0

Property Name

Value

Molecular Formula

C24H16F4N4O2

Molecular Weight

468.41

AlogP

4.57

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

86.09

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

34.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Plasmodium falciparum	36	58.7	-	-	-
Plasmodium falciparum Dd2	-	43	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Plasmodium falciparum

58.7

Plasmodium falciparum Dd2

Resources	Reference
ChEMBL	CHEMBL4207489
DrugBank	DB12659
FDA SRS	VT3A7NA96K
Guide to Pharmacology	9723
PubChem	89508529
SureChEMBL	SCHEMBL14871903

Resources

Reference

ChEMBL

CHEMBL4207489

DrugBank

DB12659

FDA SRS

VT3A7NA96K

Guide to Pharmacology

9723

PubChem

89508529

SureChEMBL

SCHEMBL14871903

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

SJ-733

Structure

Physicochemical Descriptors

Pharmacology

Cross References