Compound Detail

CHEMBL2032145

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O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NCCCO

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2032145
Phase	Preclinical
Structure Type	MOL
InChI Key	DXRHLHRSHBCEND-CVEARBPZSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

412.5

MW (Da)

0.23

ALogP

HBA

HBD

139.3

PSA (Å²)

0.18

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 9.11

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Peptide deformylase CHEMBL2029196	IC50	9.11	9.11	0.8	1
Peptide deformylase CHEMBL2010635	IC50	8.49	8.49	3.2	1
Unchecked CHEMBL612545	IC50	8.16	8.16	6.9	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Peptide deformylase	IC50	=	0.77	nM	9.11	Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS...	22579486
Peptide deformylase	IC50	=	3.2	nM	8.49	Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS pe...	22579486
Unchecked	IC50	=	6.9	nM	8.16	Inhibition of Haemophilus influenzae PDF assessed as formate release from fMAS p...	22579486

PubMed	DOI	Target Context	# Activities
22579486	10.1016/j.bmcl.2012.04.086	Peptide deformylase	2
22579486	10.1016/j.bmcl.2012.04.086	Staphylococcus aureus	1
22579486	10.1016/j.bmcl.2012.04.086	Streptococcus pneumoniae	1
22579486	10.1016/j.bmcl.2012.04.086	Haemophilus influenzae	1
22579486	10.1016/j.bmcl.2012.04.086	Moraxella catarrhalis	1
22579486	10.1016/j.bmcl.2012.04.086	Enterococcus faecalis	1
22579486	10.1016/j.bmcl.2012.04.086	Unchecked	1

Data from ChEMBL 36 via Core Engine