KO-947

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Search structure


Synonyms	Ko-947
Status
Molecule Category	Free-form

Structure


InChI Key	ODIUJYZERXVGEI-UHFFFAOYSA-N
Smiles	O=C1Nc2cc3[nH]nc(-c4ccncc4)c3cc2CN1Cc1ccccc1
InChI	InChI=1S/C21H17N5O/c27-21-23-18-11-19-17(20(25-24-19)15-6-8-22-9-7-15)10-16(18)13-26(21)12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,23,27)(H,24,25)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C21H17N5O
Molecular Weight	355.4
AlogP	4.17
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	73.91
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	27.0

Pharmacology

Mechanism of Action	Action	Reference
Mitogen-activated protein kinase; ERK1/ERK2 inhibitor	INHIBITOR	Other

Target Conservation


Protein: Mitogen-activated protein kinase; ERK1/ERK2 Description: Mitogen-activated protein kinase 3 Organism : Homo sapiens P27361 ENSG00000102882









Protein: Mitogen-activated protein kinase; ERK1/ERK2 Description: Mitogen-activated protein kinase 1 Organism : Homo sapiens P28482 ENSG00000100030

Cross References

Resources	Reference
ChEMBL	CHEMBL4650284

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