SGI-1776

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Search structure


Synonyms	Sgi-1776
Status
Molecule Category	Free-form
UNII	72AUA0603W
EPA CompTox	DTXSID10647329

Structure


InChI Key	MHXGEROHKGDZGO-UHFFFAOYSA-N
Smiles	CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1
InChI	InChI=1S/C20H22F3N5O/c1-27-9-7-14(8-10-27)12-24-18-5-6-19-25-13-17(28(19)26-18)15-3-2-4-16(11-15)29-20(21,22)23/h2-6,11,13-14H,7-10,12H2,1H3,(H,24,26)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C20H22F3N5O
Molecular Weight	405.42
AlogP	4.05
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	54.69
Molecular species	BASE
Aromatic Rings	3.0
Heavy Atoms	29.0

Pharmacology

Mechanism of Action	Action	Reference
Serine/threonine-protein kinase PIM inhibitor	INHIBITOR	PubMed PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase PIM family	200	7-618	-	12-610	-
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase Haspin family	-	34	-	-	-
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family	-	21-44	-	-	-
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family	-	240	-	-	-
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel	-	511-980	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	200	7-980	-	12-610	-

Target Conservation


Protein: Serine/threonine-protein kinase PIM Description: Serine/threonine-protein kinase pim-1 Organism : Homo sapiens P11309 ENSG00000137193










Protein: Serine/threonine-protein kinase PIM Description: Serine/threonine-protein kinase pim-3 Organism : Homo sapiens Q86V86 ENSG00000198355











Protein: Serine/threonine-protein kinase PIM Description: Serine/threonine-protein kinase pim-2 Organism : Homo sapiens Q9P1W9 ENSG00000102096

Cross References

Resources	Reference
ChEBI	95061
ChEMBL	CHEMBL1952329
DrugBank	DB12494
FDA SRS	72AUA0603W
Guide to Pharmacology	8784
PubChem	24795070
SureChEMBL	SCHEMBL102498
ZINC	ZINC000068205235

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