Compound Detail

CHEMBL2089206

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COC(=O)C(c1ccc(Cl)cc1)N1C(=O)c2cccc(C)c2NC(=S)C1c1ccc(Cl)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2089206
Phase	Preclinical
Structure Type	MOL
InChI Key	FETFMRQTYAUOQK-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

499.4

MW (Da)

6.15

ALogP

HBA

HBD

58.6

PSA (Å²)

0.34

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 4.72

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
SAOS-2 CHEMBL614894	IC50	4.72	4.72	19100.0	1
U2OS CHEMBL615023	IC50	4.56	4.56	27800.0	1
NCI-H1299 CHEMBL612255	IC50	4.13	4.13	73300.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
SAOS-2	IC50	=	19100.0	nM	4.72	Antiproliferative activity against human p53-deficient Saos2 cells after 72 hrs ...	22940704
U2OS	IC50	=	27800.0	nM	4.56	Antiproliferative activity against human U2OS cells expressing wild type p53 aft...	22940704
NCI-H1299	IC50	=	73300.0	nM	4.13	Antiproliferative activity against human p53-deficient NCI-H1299 cells after 72 ...	22940704

PubMed	DOI	Target Context	# Activities
22940704	10.1016/j.ejmech.2012.08.003	E3 ubiquitin-protein ligase Mdm2	1
22940704	10.1016/j.ejmech.2012.08.003	SAOS-2	1
22940704	10.1016/j.ejmech.2012.08.003	U2OS	1
22940704	10.1016/j.ejmech.2012.08.003	A549	1
22940704	10.1016/j.ejmech.2012.08.003	NCI-H1299	1

Data from ChEMBL 36 via Core Engine