Compound Detail

CHEMBL602340

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CC(=O)OC[C@]12CC[C@]3(C(C)C)C1=C1[C@H](C[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]1(C)CC2)n1c(=O)n(-c2ccccc2)c(=O)n13

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL602340
Phase	Preclinical
Structure Type	MOL
InChI Key	FXFLXUIIOJBMOL-MITBNOKBSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

699.9

MW (Da)

7.34

ALogP

HBA

HBD

101.5

PSA (Å²)

0.24

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 5.21

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Sindbis virus CHEMBL613725	IC50	5.21	5.21	6100.0	2
Semliki Forest virus CHEMBL613724	IC50	4.71	4.71	19498.5	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Sindbis virus	IC50	=	6165.95	nM	5.21	Antiviral activity against Sindbis virus infected in BHK cells assessed as inhib...	19839605
Sindbis virus	IC50	=	6100.0	nM	5.21	Antiviral activity against Sindbis virus infected in BHK cells assessed as inhib...	19839605
Semliki Forest virus	IC50	=	19700.0	nM	4.71	Antiviral activity against SFV infected in BHK cells after 14 hrs by luciferase ...	19839605
Semliki Forest virus	IC50	=	19498.45	nM	4.71	Antiviral activity against SFV infected in BHK cells after 14 hrs by luciferase ...	19839605

PubMed	DOI	Target Context	# Activities
19839605	10.1021/np9003245	Semliki Forest virus	9
19839605	10.1021/np9003245	ADMET	2
19839605	10.1021/np9003245	Sindbis virus	2
20116263	10.1016/j.bmc.2010.01.003	Leishmania donovani	1

Data from ChEMBL 36 via Core Engine