A1ISV

4-quinolin-8-yl-1H-pyrazolo[3,4-d]pyrimidin-6-amine

Created:	2024-10-28
Last modified:	2025-03-12

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1 entries where A1ISV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	21

2D diagram of A1ISV

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Chemical Component Summary
Name	4-quinolin-8-yl-1H-pyrazolo[3,4-d]pyrimidin-6-amine
Systematic Name (OpenEye OEToolkits)	4-quinolin-8-yl-1~{H}-pyrazolo[3,4-d]pyrimidin-6-amine
Formula	C₁₄ H₁₀ N₆
Molecular Weight	262.269
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1nc2[nH]ncc2c(n1)c3cccc4cccnc34
SMILES	OpenEye OEToolkits	2.0.7	c1cc2cccnc2c(c1)c3c4cn[nH]c4nc(n3)N
Canonical SMILES	CACTVS	3.385	Nc1nc2[nH]ncc2c(n1)c3cccc4cccnc34
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2cccnc2c(c1)c3c4cn[nH]c4nc(n3)N
InChI	InChI	1.06	InChI=1S/C14H10N6/c15-14-18-12(10-7-17-20-13(10)19-14)9-5-1-3-8-4-2-6-16-11(8)9/h1-7H,(H3,15,17,18,19,20)
InChIKey	InChI	1.06	AQECLDMGKPHFHU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	50984058
ChEMBL	CHEMBL5019909

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.