Compound Detail

CHEMBL4800038

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OCCOCCNc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(NCCOCCO)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(NCCOCCO)c(F)c4F)c4nc(c(-c5c(F)c(F)c(NCCOCCO)c(F)c5F)c5ccc2[nH]5)C2Cc5c(CO)c(CO)nn5CC42)C=C3)c(F)c1F

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4800038
Phase	Preclinical
Structure Type	MOL
InChI Key	MTJMWEZDDBIQQA-FKGZIEBWSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1469.2

MW (Da)

Drug Information

Molecule Type	Unknown
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C67H60F16N10O10
MW	1469.25

Activity Summary

IC50 2 meas. best 7.89

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
A-375 CHEMBL613859	IC50	7.89	7.89	13.0	1
OE19 CHEMBL1075555	IC50	7.57	7.57	27.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
A-375	IC50	=	13.0	nM	7.89	Photocytotoxicity against human A375 cells assessed as cell viability after 24 h...	34046633
OE19	IC50	=	27.0	nM	7.57	Photocytotoxicity against human OE19 cells assessed as cell viability after 24 h...	34046633

Literature References

PubMed	DOI	Target Context	# Activities
34046633	10.1039/d0md00433b	A-375	2
34046633	10.1039/d0md00433b	OE19	2
34046633	10.1039/d0md00433b	ADMET	2

Data from ChEMBL 36 via Core Engine