CONTELTINIB

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Search structure


Synonyms	Conteltinib
Status
Molecule Category	Free-form
UNII	URX2UMQ8XV

Structure


InChI Key	NPJCURIANJMFEO-UHFFFAOYSA-N
Smiles	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2
InChI	InChI=1S/C32H45N9O3S/c1-22(2)38-45(42,43)29-8-6-5-7-27(29)34-31-25-11-14-33-30(25)36-32(37-31)35-26-10-9-24(21-28(26)44-4)40-15-12-23(13-16-40)41-19-17-39(3)18-20-41/h5-10,21-23,38H,11-20H2,1-4H3,(H3,33,34,35,36,37)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C32H45N9O3S
Molecular Weight	635.84
AlogP	3.84
Hydrogen Bond Acceptor	11.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	10.0
Polar Surface Area	126.99
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	45.0

Pharmacology

Mechanism of Action	Action	Reference
ALK tyrosine kinase receptor inhibitor	INHIBITOR	PubMed PubMed ClinicalTrials PubMed

Target Conservation


Protein: Insulin-like growth factor I receptor Description: Insulin-like growth factor 1 receptor Organism : Homo sapiens P08069 ENSG00000140443












Protein: Focal adhesion kinase 1 Description: Focal adhesion kinase 1 Organism : Homo sapiens Q05397 ENSG00000169398












Protein: Protein tyrosine kinase 2 beta Description: Protein-tyrosine kinase 2-beta Organism : Homo sapiens Q14289 ENSG00000120899











Protein: ALK tyrosine kinase receptor Description: ALK tyrosine kinase receptor Organism : Homo sapiens Q9UM73 ENSG00000171094

Cross References

Resources	Reference
ChEMBL	CHEMBL3899477
FDA SRS	URX2UMQ8XV
Guide to Pharmacology	9763
SureChEMBL	SCHEMBL15333520

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