Compound Detail

CHEMBL400092

LYCORINE

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O[C@H]1[C@H]2c3cc4c(cc3CN3CCC(=C[C@@H]1O)[C@H]23)OCO4

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL400092
Name	LYCORINE
Phase	Preclinical
Structure Type	MOL
InChI Key	XGVJWXAYKUHDOO-DANNLKNASA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

287.3

MW (Da)

0.75

ALogP

HBA

HBD

62.2

PSA (Å²)

0.69

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula	C16H17NO4
MW	287.31
Aromatic Rings	1
Heavy Atoms	21
NP-Likeness	2.29

Activity Summary

IC50 54 meas. best 7.8

EC50 10 meas. best 7.8

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
SARS-CoV CHEMBL4303836	IC50	7.8	7.8	15.7	2
SARS-CoV CHEMBL4303836	EC50	7.8	7.8	15.7	1
Plasmodium falciparum CHEMBL364	IC50	6.89	6.89	130.0	1
Human coronavirus OC43 CHEMBL5209665	EC50	6.82	6.82	150.0	1
Plasmodium falciparum CHEMBL364	EC50	6.81	6.515	156.2	2
NCI-H1299 CHEMBL612255	IC50	6.52	6.52	300.0	1
SAOS-2 CHEMBL614894	IC50	6.52	6.52	300.0	1
NHDF CHEMBL614200	IC50	6.52	6.52	300.0	1
MOLT-4 CHEMBL614177	IC50	6.52	6.52	300.0	1
PANC-1 CHEMBL614139	IC50	6.52	6.52	300.0	1
BT-549 CHEMBL614072	IC50	6.52	6.52	300.0	1
A2780 CHEMBL614004	IC50	6.52	6.52	300.0	1
AGS CHEMBL613860	IC50	6.52	6.52	300.0	1
SK-BR-3 CHEMBL613834	IC50	6.52	6.52	300.0	1
SW480 CHEMBL612544	IC50	6.52	6.52	300.0	1
COLO 201 CHEMBL4523567	IC50	6.52	6.52	300.0	1
MDA-MB-231 CHEMBL400	IC50	6.52	6.52	300.0	1
HL-60 CHEMBL383	IC50	6.52	6.16	300.0	2
HT-29 CHEMBL384	IC50	6.52	6.01	300.0	2
Jurkat CHEMBL397	IC50	6.52	6.52	300.0	1
MCF7 CHEMBL387	IC50	6.52	5.705	300.0	2
A549 CHEMBL392	IC50	6.52	5.738	300.0	5
Zika virus CHEMBL4296612	EC50	6.41	6.41	390.0	1
Dengue virus CHEMBL613757	EC50	6.4	6.085	400.0	2
SARS-CoV-2 CHEMBL4303835	EC50	6.36	6.36	439.0	1
Unchecked CHEMBL612545	EC50	6.33	6.33	470.0	1
CCRF-CEM CHEMBL382	IC50	5.8	5.8	1600.0	1
BJ CHEMBL614358	IC50	5.72	5.72	1900.0	1
Hs 683 CHEMBL612596	IC50	5.7	5.7	2000.0	1
SK-MEL-28 CHEMBL614919	IC50	5.7	5.385	2000.0	2
NON-PROTEIN TARGET CHEMBL3879801	IC50	5.7	5.3263	2000.0	8
B16-F10 CHEMBL612656	IC50	5.7	5.3667	2000.0	3
K562 CHEMBL385	IC50	5.64	5.54	2300.0	2
Macrophage CHEMBL612578	IC50	5.6	5.6	2500.0	1
HepG2 CHEMBL395	IC50	5.43	5.43	3700.0	1
ADMET CHEMBL612558	IC50	5.31	5.31	4900.0	1
G-361 CHEMBL614036	IC50	5.3	5.3	5000.0	1
Variola virus CHEMBL613494	EC50	5.3	5.3	5000.0	1
SK-MEL CHEMBL614914	IC50	5.08	5.08	8400.0	1
HeLa CHEMBL399	IC50	4.97	4.97	10600.0	1
Zinc finger protein GLI1 CHEMBL5461	IC50	4.72	4.72	19000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
SARS-CoV	IC50	=	15.7	nM	7.8	Antiviral activity against SARS-CoV BJ-001 infected in African green monkey Vero...	32845145
SARS-CoV	IC50	=	15.7	nM	7.8	Antiviral activity against SARS-CoV BJ-001 infected in African green monkey Vero...	32845145
SARS-CoV	EC50	=	15.7	nM	7.8	Antiviral activity against SARS-CoV assessed as reduction in virus-induced cytop...	33352046
Plasmodium falciparum	IC50	=	130.0	nM	6.89	Antiplasmodial activity against Plasmodium falciparum F32-Tanzania after 24 hrs	20627737
Human coronavirus OC43	EC50	=	150.0	nM	6.82	Antiviral activity against wild type HCoV-OC43 infected in BHK-21 cells incubate...	32845145
Plasmodium falciparum	EC50	=	156.2	nM	6.81	NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation ...	18579783
MDA-MB-231	IC50	=	300.0	nM	6.52	Cytotoxicity against human MDA-MB-231 cells assessed as cell growth inhibition i...	34536668
MCF7	IC50	=	300.0	nM	6.52	Cytotoxicity against human MCF7 cells assessed as cell growth inhibition incubat...	34536668
BT-549	IC50	=	300.0	nM	6.52	Cytotoxicity against human BT-549 cells assessed as cell growth inhibition incub...	34536668
SAOS-2	IC50	=	300.0	nM	6.52	Cytotoxicity against human SAOS-2 cells assessed as cell growth inhibition incub...	34536668
A2780	IC50	=	300.0	nM	6.52	Cytotoxicity against human A2780 cells assessed as cell growth inhibition incuba...	34536668
SK-BR-3	IC50	=	300.0	nM	6.52	Cytotoxicity against human SK-BR-3 cells assessed as cell growth inhibition incu...	34536668
NHDF	IC50	=	300.0	nM	6.52	Cytotoxicity against human NHDF cells assessed as cell growth inhibition incubat...	34536668
PANC-1	IC50	=	300.0	nM	6.52	Cytotoxicity against human PANC-1 cells assessed as cell growth inhibition incub...	34536668
AGS	IC50	=	300.0	nM	6.52	Cytotoxicity against human AGS cells assessed as cell growth inhibition incubate...	34536668
SW480	IC50	=	300.0	nM	6.52	Cytotoxicity against human SW480 cells assessed as cell growth inhibition incuba...	34536668
HT-29	IC50	=	300.0	nM	6.52	Cytotoxicity against human HT-29 cells assessed as cell growth inhibition incuba...	34536668
COLO 201	IC50	=	300.0	nM	6.52	Cytotoxicity against human COLO201 cells assessed as cell growth inhibition incu...	34536668
Jurkat	IC50	=	300.0	nM	6.52	Cytotoxicity against human Jurkat cells assessed as cell growth inhibition incub...	34536668
NCI-H1299	IC50	=	300.0	nM	6.52	Cytotoxicity against human NCI-H1299 cells assessed as cell growth inhibition in...	34536668

Literature References

PubMed	DOI	Target Context	# Activities
7153775	10.1021/np50023a009	Vero	13
19788245	10.1021/jm901031h	A549	9
19788245	10.1021/jm901031h	Unchecked	8
19788245	10.1021/jm901031h	NON-PROTEIN TARGET	7
7153775	10.1021/np50023a009	Enterovirus C	7
39229678	10.1021/acs.jnatprod.4c00825	ADMET	6
15270564	10.1021/np030529k	Macrophage	6
8229016	10.1021/np50098a017	NON-PROTEIN TARGET	5
15270564	10.1021/np030529k	ADMET	5
1336040	10.1021/np50089a003	ADMET	5
7153775	10.1021/np50023a009	ADMET	4
7153775	10.1021/np50023a009	Simplexvirus	4
7153775	10.1021/np50023a009	Semliki Forest virus	4
7153775	10.1021/np50023a009	Measles morbillivirus	4
-	10.1021/np50040a008	Rhodococcus fascians	4
32845145	10.1021/acs.jmedchem.0c00626	Unchecked	4
39229678	10.1021/acs.jnatprod.4c00825	Unchecked	3
20550100	10.1021/np9008255	NON-PROTEIN TARGET	3
19788245	10.1021/jm901031h	B16-F10	3
28835799	10.1021/acsmedchemlett.7b00188	Enterovirus A71	3

Data from ChEMBL 36 via Core Engine