SKLB1028

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Search structure


Synonyms	Sklb1028
Status
Molecule Category	Free-form
UNII	AQ3TTU8UM7

Structure


InChI Key	WSOHOUHPUOAXIN-UHFFFAOYSA-N
Smiles	CC(C)n1c(Nc2cccnc2)nc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21
InChI	InChI=1S/C24H29N9/c1-17(2)33-22-21(29-24(33)28-19-5-4-10-25-15-19)16-26-23(30-22)27-18-6-8-20(9-7-18)32-13-11-31(3)12-14-32/h4-10,15-17H,11-14H2,1-3H3,(H,28,29)(H,26,27,30)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C24H29N9
Molecular Weight	443.56
AlogP	4.04
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	87.03
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	33.0

Pharmacology

Mechanism of Action	Action	Reference
Epidermal growth factor receptor erbB1 inhibitor	INHIBITOR	PubMed

Target Conservation


Protein: Tyrosine-protein kinase ABL Description: Tyrosine-protein kinase ABL1 Organism : Homo sapiens P00519 ENSG00000097007












Protein: Epidermal growth factor receptor erbB1 Description: Epidermal growth factor receptor Organism : Homo sapiens P00533 ENSG00000146648












Protein: Tyrosine-protein kinase receptor FLT3 Description: Receptor-type tyrosine-protein kinase FLT3 Organism : Homo sapiens P36888 ENSG00000122025

Cross References

Resources	Reference
ChEMBL	CHEMBL3678958
FDA SRS	AQ3TTU8UM7
SureChEMBL	SCHEMBL12065086

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