Compound Detail

CHEMBL3085425

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CCCCCC[C@H](O)CCC[C@H](OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](O)CCCCCCCCCCCCC3=C[C@H](C)OC3=O)O2)O1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3085425
Phase	Preclinical
Structure Type	MOL
InChI Key	GEQMRPCOOXCMKU-NFXIWCCYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1145.6

MW (Da)

Drug Information

Molecule Type	Unknown
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C71H100O12
MW	1145.57

Activity Summary

EC50 3 meas. best 7.3

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
L1210 CHEMBL386	EC50	7.3	7.3	50.0	1
ADMET CHEMBL612558	EC50	6.37	6.37	430.0	1
Vero CHEMBL391	EC50	6.06	6.06	870.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
L1210	EC50	=	50.0	nM	7.3	Cytotoxic activity against mouse lymphocytic leukemia cells (L1210)	10780917
ADMET	EC50	=	430.0	nM	6.37	Cytotoxic activity against human epidermoid carcinoma cells (KB)	10780917
Vero	EC50	=	870.0	nM	6.06	Cytotoxic activity against african green monkey (Cercopithecus aethiops) kidney ...	10780917

Literature References

PubMed	DOI	Target Context	# Activities
10780917	10.1021/jm990568m	ADMET	1
10780917	10.1021/jm990568m	Vero	1
10780917	10.1021/jm990568m	L1210	1

Data from ChEMBL 36 via Core Engine