Compound Detail

CHEMBL188918

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CCOC(=O)/C=C/[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)c1cccc(O)c1C)C(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL188918
Phase	Preclinical
Structure Type	MOL
InChI Key	YQKMRGLFGXKLJC-VOSPOJDESA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

505.6

MW (Da)

1.58

ALogP

HBA

HBD

154.1

PSA (Å²)

0.20

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 7.48

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Proteasome CHEMBL612443	IC50	7.48	7.48	33.0	2
Unchecked CHEMBL612545	IC50	7.48	7.42	33.0	3

Parameter	Value	Units	Species
T1/2	6.0	hr	Homo sapiens
T1/2	6.0	hr	-
T1/2	6.0	hr	Homo sapiens
T1/2	6.0	hr	Homo sapiens

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Proteasome	IC50	=	33.0	nM	7.48	Inhibition of trypsin like activity of the proteasome purified from lymphoblasto...	16033282
Proteasome	IC50	=	33.0	nM	7.48	Inhibition of trypsin like activity of the proteasome in colon carcinoma cell li...	16033282
Unchecked	IC50	=	33.0	nM	7.48	Inhibition of trypsin-like activity of 20S proteasome in lymphoblastoid cells af...	17291631
Unchecked	IC50	=	33.0	nM	7.48	Inhibition of trypsin like 20S proteasome activity in lymphoblastoid cells	17996987
Unchecked	IC50	=	50.0	nM	7.3	In vivo inhibition of trypsin like 20S proteasome	17996987

PubMed	DOI	Target Context	# Activities
17996987	10.1016/j.ejmech.2007.10.002	Unchecked	6
16033282	10.1021/jm040905d	Proteasome	4
17291631	10.1016/j.ejmech.2006.12.008	Unchecked	3
16033282	10.1021/jm040905d	ADMET	2
17291631	10.1016/j.ejmech.2006.12.008	Plasma	1
17996987	10.1016/j.ejmech.2007.10.002	Plasma	1

Data from ChEMBL 36 via Core Engine