GUSACITINIB

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Search structure


Synonyms	ASN-002 ASN002 Asn-002 Asn002 EN-3351 EN3351 Gusacitinib
Status
Molecule Category	Free-form
UNII	4801QYW816

Structure


InChI Key	NLFLXLJXEIUQDL-UHFFFAOYSA-N
Smiles	N#CCC1CCN(c2nc(Nc3ccc(N4CCC(O)CC4)cc3)c3c(=O)[nH]ncc3n2)CC1
InChI	InChI=1S/C24H28N8O2/c25-10-5-16-6-11-32(12-7-16)24-28-20-15-26-30-23(34)21(20)22(29-24)27-17-1-3-18(4-2-17)31-13-8-19(33)9-14-31/h1-4,15-16,19,33H,5-9,11-14H2,(H,30,34)(H,27,28,29)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C24H28N8O2
Molecular Weight	460.54
AlogP	2.55
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	5.0
Polar Surface Area	134.06
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	34.0

Pharmacology

Mechanism of Action	Action	Reference
Janus Kinase (JAK) inhibitor	INHIBITOR	PubMed PubMed

Target Conservation


Protein: Janus Kinase (JAK) Description: Tyrosine-protein kinase JAK2 Organism : Homo sapiens O60674 ENSG00000096968











Protein: Janus Kinase (JAK) Description: Tyrosine-protein kinase JAK1 Organism : Homo sapiens P23458 ENSG00000162434











Protein: Janus Kinase (JAK) Description: Non-receptor tyrosine-protein kinase TYK2 Organism : Homo sapiens P29597 ENSG00000105397











Protein: Tyrosine-protein kinase SYK Description: Tyrosine-protein kinase SYK Organism : Homo sapiens P43405 ENSG00000165025

Cross References

Resources	Reference
ChEMBL	CHEMBL4594275
FDA SRS	4801QYW816
Guide to Pharmacology	10000
PubChem	71269142
SureChEMBL	SCHEMBL14717111

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