JNJ-54175446

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Search structure


Synonyms	Jnj-54175446
Status
Molecule Category	Free-form
UNII	32524GLF40

Structure


InChI Key	CWFVVQFVGMFTBD-SECBINFHSA-N
Smiles	C[C@@H]1c2nnn(-c3ncc(F)cn3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl
InChI	InChI=1S/C18H13ClF4N6O/c1-9-15-13(29(27-26-15)17-24-7-10(20)8-25-17)5-6-28(9)16(30)11-3-2-4-12(14(11)19)18(21,22)23/h2-4,7-9H,5-6H2,1H3/t9-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C18H13ClF4N6O
Molecular Weight	440.79
AlogP	3.63
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	2.0
Polar Surface Area	76.8
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	30.0

Pharmacology

Mechanism of Action	Action	Reference
P2X purinoceptor 7 antagonist	ANTAGONIST	ClinicalTrials PubMed PubMed PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Ligand-gated ion channel P2X receptor	-	1.549-31.62	-	5.012-5.012	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Canis lupus familiaris	-	12.59-158.49	-	-	-
Homo sapiens	-	3.467-19.95	-	5.012	-
Macaca mulatta	-	7.943	-	-	-
Mus musculus	-	15.85-31.62	-	-	-
Rattus norvegicus	-	1.549-10	-	5.012	-

Target Conservation


Protein: P2X purinoceptor 7 Description: P2X purinoceptor 7 Organism : Homo sapiens Q99572 ENSG00000089041

Cross References

Resources	Reference
ChEMBL	CHEMBL4079239
DrugBank	DB15358
FDA SRS	32524GLF40
PubChem	90409366
SureChEMBL	SCHEMBL16036477

CONTENTS

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...

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Last update: Monday, 3 November 2025