Compound Detail

CHEMBL364613

CORONARIDINE

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CC[C@H]1C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@H]13

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL364613
Name	CORONARIDINE
Phase	Preclinical
Structure Type	MOL
InChI Key	NVVDQMVGALBDGE-KSWFMABOSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

338.4

MW (Da)

3.26

ALogP

HBA

HBD

45.3

PSA (Å²)

0.86

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 10 meas. best 5.52

EC50 1 meas. best 4.8

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Transient receptor potential cation channel subfamily M member 8 CHEMBL3108632	IC50	5.52	5.16	3000.0	2
Unchecked CHEMBL612545	IC50	5.24	5.24	5800.0	1
Acetylcholinesterase CHEMBL4078	IC50	5.07	5.07	8600.0	1
SW480 CHEMBL612544	IC50	4.98	4.98	10400.0	1
HCT-116 CHEMBL394	IC50	4.94	4.94	11600.0	1
Transient receptor potential cation channel subfamily A member 1 CHEMBL6007	EC50	4.8	4.8	16000.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	4.61	4.61	24400.0	1
RAW264.7 CHEMBL612557	IC50	4.59	4.59	25500.0	1
HEK293 CHEMBL614818	IC50	4.5	4.5	31700.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Transient receptor potential cation channel subfamily M member 8	IC50	=	3000.0	nM	5.52	Antagonist activity against mouse TRPM8 expressed in T-REx HEK cells assessed as...	25052206
Unchecked	IC50	=	5800.0	nM	5.24	Inhibition of Wnt/beta-catenin in human STF/293 cells assessed as inhibition of ...	26231157
Acetylcholinesterase	IC50	=	8600.0	nM	5.07	Inhibition of electric eel AChE by Ellman's method	20850311
SW480	IC50	=	10400.0	nM	4.98	Cytotoxicity against Wnt-dependent human SW480 cells assessed as cell viability ...	26231157
HCT-116	IC50	=	11600.0	nM	4.94	Cytotoxicity against Wnt-dependent human HCT116 cells assessed as cell viability...	26231157
Transient receptor potential cation channel subfamily A member 1	EC50	=	16000.0	nM	4.8	Agonist activity at human TRPA1 expressed in T-REx HEK cells assessed as increas...	25052206
Transient receptor potential cation channel subfamily M member 8	IC50	=	16000.0	nM	4.8	Antagonist activity against mouse TRPM8 expressed in T-REx HEK cells assessed as...	25052206
NON-PROTEIN TARGET	IC50	=	24400.0	nM	4.61	Cytotoxicity against Wnt-dependent human DLD1 cells assessed as cell viability a...	26231157
RAW264.7	IC50	=	25500.0	nM	4.59	Anti-inflammatory activity in mouse RAW264.7 cells assessed as LPS-stimulated in...	26024020
HEK293	IC50	=	31700.0	nM	4.5	Cytotoxicity against HEK293 cells assessed as cell viability after 24 hrs by flu...	26231157

PubMed	DOI	Target Context	# Activities
26231157	10.1016/j.bmcl.2015.07.036	SW480	9
25052206	10.1021/np500235b	Transient receptor potential cation channel subfamily M member 8	5
7853002	10.1021/np50113a007	NON-PROTEIN TARGET	4
25052206	10.1021/np500235b	Transient receptor potential cation channel subfamily A member 1	4
25052206	10.1021/np500235b	Transient receptor potential cation channel subfamily V member 1	3
26231157	10.1016/j.bmcl.2015.07.036	Unchecked	2
26231157	10.1016/j.bmcl.2015.07.036	HEK-293T	2
37421889	10.1016/j.ejmech.2023.115609	Leishmania amazonensis	2
15357977	10.1016/j.bmcl.2004.06.074	KB	2
7853002	10.1021/np50113a007	ZR-75-1	1
25052206	10.1021/np500235b	ADMET	1
20850311	10.1016/j.bmcl.2010.08.123	Acetylcholinesterase	1
12713407	10.1021/np020548e	A2780	1
7853002	10.1021/np50113a007	P388	1
7853002	10.1021/np50113a007	SK-MEL-2	1
7853002	10.1021/np50113a007	Lu1	1
7853002	10.1021/np50113a007	LNCaP	1
7853002	10.1021/np50113a007	KB	1
7853002	10.1021/np50113a007	HT	1
7853002	10.1021/np50113a007	Col2	1

Data from ChEMBL 36 via Core Engine