GUSACITINIB

Search structure


Synonyms:	Asn-002 Asn002 ASN-002 ASN002 EN-3351 EN3351 Gusacitinib
Status:	Phase 2
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	4801QYW816

Structure


InChI Key	NLFLXLJXEIUQDL-UHFFFAOYSA-N
Smile	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

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

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Dermatitis, Atopic	2	D003876	ClinicalTrials
Dermatitis	2	D003872	ClinicalTrials
Lymphoma, Large B-Cell, Diffuse	1	D016403	ClinicalTrials
Lymphoma, Mantle-Cell	1	D020522	ClinicalTrials
Lymphoma, Follicular	1	D008224	ClinicalTrials

Cross References

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

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