Compound Detail

CHEMBL2402278

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COC(=O)C1=C2C[C@@H]3CC[C@@H](C)[C@]2(CC1)C3(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2402278
Phase	Preclinical
Structure Type	MOL
InChI Key	DGOUGOOBFKBPQX-GDLVEWKHSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

248.4

MW (Da)

3.71

ALogP

HBA

HBD

26.3

PSA (Å²)

0.66

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

EC50 6 meas. best 4.82

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Plasmodium falciparum CHEMBL364	EC50	4.82	4.82	15015.0	2
HepG2 CHEMBL395	EC50	4.58	4.58	26041.7	1
BJ CHEMBL614358	EC50	4.58	4.58	26041.7	1
Raji CHEMBL614628	EC50	4.58	4.58	26041.7	1
HEK293 CHEMBL614818	EC50	4.58	4.58	26041.7	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Plasmodium falciparum	EC50	=	15015.0	nM	4.82	Antimalarial activity against chloroquine and pyrimethamine-resistant Plasmodium...	23747806
Plasmodium falciparum	EC50	=	15015.0	nM	4.82	Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 in...	23747806
BJ	EC50	=	26041.7	nM	4.58	Cytotoxicity against human BJ cells after 72 hrs by celltiter-glo assay	23747806
HEK293	EC50	=	26041.7	nM	4.58	Cytotoxicity against HEK293 cells after 72 hrs by celltiter-glo assay	23747806
HepG2	EC50	=	26041.7	nM	4.58	Cytotoxicity against human HepG2 cells after 72 hrs by celltiter-glo assay	23747806
Raji	EC50	=	26041.7	nM	4.58	Cytotoxicity against human Raji cells after 72 hrs by celltiter-glo assay	23747806

PubMed	DOI	Target Context	# Activities
23747806	10.1016/j.ejmech.2013.04.030	Plasmodium falciparum	2
23747806	10.1016/j.ejmech.2013.04.030	BJ	1
23747806	10.1016/j.ejmech.2013.04.030	HEK293	1
23747806	10.1016/j.ejmech.2013.04.030	HepG2	1
23747806	10.1016/j.ejmech.2013.04.030	Raji	1

Data from ChEMBL 36 via Core Engine