Discovery of potential FGFR3 inhibitors via QSAR, pharmacophore modeling, virtual screening and molecular docking studies against bladder cancer

Ganji, Mahmoud; Bakhshi, Shohreh; Shoari, Alireza; Ahangari Cohan, Reza

doi:10.1186/s12967-023-03955-5

Table 2 Evaluation of toxicity of approved drugs and screened molecules using Protox-II server

From: Discovery of potential FGFR3 inhibitors via QSAR, pharmacophore modeling, virtual screening and molecular docking studies against bladder cancer

No	IDs	Class of Toxicity	Predicted LD50(mg/kg)	Hepatotoxicity	Carcinogenicity	Immunotoxicity	Mutagenicity	Cytotoxicity
1	Infigratinib	5	5000	Inactive	Inactive	Active	Inactive	Inactive
2	Nintedanib	4	500	Inactive	Active	Inactive	Inactive	Inactive
3	Ponatinib	5	5000	Inactive	Active	Active	Inactive	Inactive
4	Pemigatinib	4	840	Inactive	Inactive	Active	Inactive	Active
5	NSC58904	4	1000	Active	Active	Inactive	Active	Inactive
6	ZINC00702428	4	2000	Inactive	Inactive	Active	Inactive	Inactive
7	ZINC08425746	5	5000	Inactive	Inactive	Inactive	Inactive	Inactive
8	ZINC00622382	5	3000	Inactive	Inactive	Inactive	Inactive	Inactive
9	ZINC00872960	4	1460	Active	Active	Inactive	Inactive	Inactive
10	ZINC00651156	4	1700	Inactive	Inactive	Inactive	Active	Inactive
11	ZINC00625888	4	2000	Inactive	Inactive	Inactive	Inactive	Inactive
12	NSC216633	5	2300	Active	Inactive	Inactive	Inactive	Inactive
13	ZINC09045651	4	2000	Inactive	Inactive	Active	Inactive	Inactive
14	ZINC08433190	4	1000	Inactive	Inactive	Inactive	Inactive	Inactive
15	ZINC00872940	5	3040	Active	Inactive	Inactive	Inactive	Inactive
16	ZINC08829718	4	1250	Active	Inactive	Inactive	Inactive	Inactive
17	ZINC00659595	4	1200	Active	Active	Inactive	Inactive	Inactive
18	ZINC00729391	4	1500	Active	Inactive	Inactive	Inactive	Active
19	ZINC00729387	4	1500	Active	Inactive	Inactive	Inactive	Active
20	NSC120289	4	1000	Active	Inactive	Inactive	Inactive	Inactive
21	ZINC00702764	4	2000	Inactive	Inactive	Inactive	Inactive	Inactive
22	ZINC00669405	4	1500	Active	Inactive	Inactive	Active	Active
23	ZINC00710252	4	1500	Inactive	Inactive	Inactive	Inactive	Inactive
24	ZINC00668789	4	1500	Active	Inactive	Inactive	Inactive	Inactive
25	NSC55691	3	300	Active	Inactive	Inactive	Active	Inactive
26	ZINC00692629	4	1600	Inactive	Active	Active	Inactive	Active

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ISSN: 1479-5876

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