compound 4g [PMID: 21316219]

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Ligands
compound 4g [PMID: 21316219]

Ligand id: 8211

Name: compound 4g [PMID: 21316219]

Structure and Physico-chemical Properties

2D Structure

Calculated Physico-chemical Properties
Hydrogen bond acceptors	5
Hydrogen bond donors	2
Rotatable bonds	4
Topological polar surface area	74.43
Molecular weight	352.13
XLogP	5.66
No. Lipinski's rules broken	1

Molecular properties generated using the CDK

Classification
Compound class	Synthetic organic

IUPAC Name
2-[(2Z)-2-(1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene)indol-6-yl]-1-phenylethanone

IUPAC Name

2-[(2Z)-2-(1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene)indol-6-yl]-1-phenylethanone

Comments
Compound 4g is an alkoxy derivative of compound 4a [1] and was reported in a medicinal chemistry/structure aided design study to identify improved inhibitors of interleukin-2 inducible T-cell kinase (ITK).

Comments

Compound 4g is an alkoxy derivative of compound 4a [1] and was reported in a medicinal chemistry/structure aided design study to identify improved inhibitors of interleukin-2 inducible T-cell kinase (ITK).

Database Links
ChEMBL Ligand	CHEMBL1684662
GtoPdb PubChem SID	249565891
PubChem CID	53322294
Search Google for chemical match using the InChIKey	CDVMXMZPDJHSCC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone	CDVMXMZPDJHSCC
Search UniChem for chemical match using the InChIKey	CDVMXMZPDJHSCC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone	CDVMXMZPDJHSCC