Compound Detail

CHEMBL151905

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CCOC(=O)c1cc(COC(=O)Nc2cc3c(c4ccccc24)C(C(=O)c2cc4cc(OC)c(OC)c(OC)c4[nH]2)CN3CCl)c([N+](=O)[O-])n1C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL151905
Phase	Preclinical
Structure Type	MOL
InChI Key	YKUYVCMQDSXLID-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

720.1

MW (Da)

6.50

ALogP

HBA

HBD

176.5

PSA (Å²)

0.04

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 4.62

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
V79 CHEMBL614074	IC50	4.62	4.62	24000.0	1
EMT6 CHEMBL614294	IC50	4.55	4.55	28000.0	1
WiDr CHEMBL614647	IC50	4.03	4.03	94000.0	1
SK-OV-3 CHEMBL614925	IC50	4.01	4.01	97000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
V79	IC50	=	24000.0	nM	4.62	Inhibitory activity was determined against V79 cell line in chinese hamster	14640560
EMT6	IC50	=	28000.0	nM	4.55	Inhibitory activity against EMT6 murine cell line	14640560
WiDr	IC50	=	94000.0	nM	4.03	Inhibitory activity was determined against WiDr cell line in human	14640560
SK-OV-3	IC50	=	97000.0	nM	4.01	Inhibitory activity was determined against SKOV3 cell line in human	14640560

PubMed	DOI	Target Context	# Activities
14640560	10.1021/jm030308b	SK-OV-3	2
14640560	10.1021/jm030308b	WiDr	2
14640560	10.1021/jm030308b	V79	2
14640560	10.1021/jm030308b	EMT6	2
14640560	10.1021/jm030308b	No relevant target	1

Data from ChEMBL 36 via Core Engine