Compound Detail

CHEMBL390920

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COC(=O)Nc1cc2c3c(cccc3c1)C(=O)N(CCN(C)C)C2=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL390920
Phase	Preclinical
Structure Type	MOL
InChI Key	KDVCQBKNPWZCQD-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

341.4

MW (Da)

2.18

ALogP

HBA

HBD

79.0

PSA (Å²)

0.86

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 5.48

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NON-PROTEIN TARGET CHEMBL3879801	IC50	5.48	5.43	3300.0	2
LoVo CHEMBL614721	IC50	5.39	5.39	4100.0	1
A549 CHEMBL392	IC50	5.23	5.23	5900.0	1
HCT-15 CHEMBL612263	IC50	5.14	5.14	7200.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NON-PROTEIN TARGET	IC50	=	3300.0	nM	5.48	Antiproliferative activity against Hs683 cells after 72 hrs by MTT assay	17658777
LoVo	IC50	=	4100.0	nM	5.39	Antiproliferative activity against LoVo cells after 72 hrs by MTT assay	17658777
NON-PROTEIN TARGET	IC50	=	4200.0	nM	5.38	Antiproliferative activity against U373MG cells after 72 hrs by MTT assay	17658777
A549	IC50	=	5900.0	nM	5.23	Antiproliferative activity against A549 cells after 72 hrs by MTT assay	17658777
HCT-15	IC50	=	7200.0	nM	5.14	Antiproliferative activity against HCT15 cells after 72 hrs by MTT assay	17658777

PubMed	DOI	Target Context	# Activities
17658777	10.1021/jm070315q	NON-PROTEIN TARGET	2
17658777	10.1021/jm070315q	HCT-15	1
17658777	10.1021/jm070315q	LoVo	1
17658777	10.1021/jm070315q	A549	1
17658777	10.1021/jm070315q	MCF7	1
17658777	10.1021/jm070315q	Mus musculus	1
17658777	10.1021/jm070315q	L1210	1

Data from ChEMBL 36 via Core Engine