Compound Detail

CHEMBL357583

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

O=C(N[C@@H](Cc1ccccc1)C(=O)O)OCC1c2ccccc2-c2ccccc21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL357583
Phase	Preclinical
Structure Type	MOL
InChI Key	SJVFAHZPLIXNDH-QFIPXVFZSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

387.4

MW (Da)

4.22

ALogP

HBA

HBD

75.6

PSA (Å²)

0.66

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 5 meas. best 4.85

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NON-PROTEIN TARGET CHEMBL3879801	IC50	4.85	4.85	14100.0	2
Homo sapiens CHEMBL372	IC50	4.24	4.24	58000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NON-PROTEIN TARGET	IC50	=	14200.0	nM	4.85	Antiinflammatory activity in fMLP/cytochalasin B-stimulated human neutrophils as...	19110343
NON-PROTEIN TARGET	IC50	=	14100.0	nM	4.85	Antiinflammatory activity in fMLP/cytochalasin B-stimulated human neutrophils as...	19110343
Homo sapiens	IC50	=	58000.0	nM	4.24	In vitro ability to inhibit the adhesion of neutrophil activated by tumor necros...	7752189

PubMed	DOI	Target Context	# Activities
19110343	10.1016/j.ejmech.2008.11.008	NON-PROTEIN TARGET	2
11844661	10.1016/s0960-894x(01)00790-9	Unchecked	1
7752189	10.1021/jm00010a009	Homo sapiens	1
30301675	10.1016/j.bmcl.2018.09.034	Chaperone SurA	1
30301675	10.1016/j.bmcl.2018.09.034	Unchecked	1
32608236	10.1021/acs.jmedchem.9b02119	Sialin	1
37364726	10.1016/j.bmcl.2023.129392	Cholinesterase	1

Data from ChEMBL 36 via Core Engine