PF-05180999

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Search structure


Synonyms	PF-999 Pf-05180999
Status
Molecule Category	Free-form
UNII	5L84K4IEN9

Structure


InChI Key	CLGCHUKGBICQTE-UHFFFAOYSA-N
Smiles	Cc1nc(-c2cnn(C)c2-c2ccc(C(F)(F)F)cn2)c2c(N3CCC3)ncnn12
InChI	InChI=1S/C19H17F3N8/c1-11-27-15(17-18(29-6-3-7-29)24-10-26-30(11)17)13-9-25-28(2)16(13)14-5-4-12(8-23-14)19(20,21)22/h4-5,8-10H,3,6-7H2,1-2H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C19H17F3N8
Molecular Weight	414.4
AlogP	3.12
Hydrogen Bond Acceptor	8.0
Number of Rotational Bond	3.0
Polar Surface Area	77.03
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	30.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Phosphodiesterase Phosphodiesterase 2 Phosphodiesterase 2A	-	1-1.6	-	4.2	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Canis lupus familiaris	-	-	-	8.4	-
Homo sapiens	-	1-1.6	-	-	-
Macaca mulatta	-	-	-	5.5	-
Rattus norvegicus	-	-	-	4.2	-

Cross References

Resources	Reference
ChEMBL	CHEMBL3092562
DrugBank	DB14885
FDA SRS	5L84K4IEN9
PubChem	60143346
SureChEMBL	SCHEMBL11971205
ZINC	ZINC000103257178

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