NITIDINE

COC1=CC2=C(C=C1OC)C3=C(C4=CC5=C(OCO5)C=C4C=C3)[N+](C)=C2

InChIKey=KKMPSGJPCCJYRV-UHFFFAOYSA-N

InChI=1S/C21H18NO4/c1-22-10-13-7-17(23-2)18(24-3)8-15(13)14-5-4-12-6-19-20(26-11-25-19)9-16(12)21(14)22/h4-10H,11H2,1-3H3/q+1

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Targets

Primary Target	Pharmacology	Potency
DNA topoisomerase II 66 Target ID: CHEMBL2094255 Sources: https://www.ncbi.nlm.nih.gov/pubmed/30132517	Inhibitor 8297
DNA topoisomerase I 59 Target ID: CHEMBL1781 Sources: https://www.ncbi.nlm.nih.gov/pubmed/30132517	Inhibitor 8297
DOPA decarboxylase 15 Target ID: CHEMBL1843 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24794108	Inhibitor 8297	1.34 mM [IC50]

PubMed

Title	Date	PubMed
Evaluation of natural products as inhibitors of human immunodeficiency virus type 1 (HIV-1) reverse transcriptase.	1991 Jan-Feb	1710653
HIV-1 and HIV-2 reverse transcriptases: a comparative study of sensitivity to inhibition by selected natural products.	1992 May 29	1376118
Comparison of in vitro activities of camptothecin and nitidine derivatives against fungal and cancer cells.	1999 Dec	10582872
Benzo[c]phenanthridine bases and their antituberculosis activity.	2001 Jan	11135299
Biological activities of nitidine, a potential anti-malarial lead compound.	2012 Mar 9	22404785

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:11:57 GMT 2023` Edited by `admin` on `Fri Dec 15 18:11:57 GMT 2023`
Record UNII	933301178Z
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

NITIDINE

Common Name

English

(1,3)BENZODIOXOLO(5,6-C)PHENANTHRIDINIUM, 2,3-DIMETHOXY-12-METHYL-

Systematic Name

English

NITIDINE CATION

Common Name

English

NITIDIN

Common Name

English

NITIDINE ION

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID60218846