Compound Detail

CHEMBL1631496

Enter ChEMBL ID:

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

NCCCC[C@H](N)C(=O)N[C@@H]1C[C@H](N)[C@@]2(CC[C@H](O)[C@H](O)CO2)[C@H](O)[C@H]1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1631496
Phase	Preclinical
Structure Type	MOL
InChI Key	QEAGMRJMUFPDHD-HCZZMEHVSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

390.5

MW (Da)

-3.35

ALogP

HBA

HBD

197.3

PSA (Å²)

0.21

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 2 meas. best 4.92

IC50 2 meas. best 4.01

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Nucleic Acid CHEMBL345	EC50	4.92	4.92	12000.0	1
Unchecked CHEMBL612545	EC50	4.92	4.92	12000.0	1
Bacterial 70S ribosome CHEMBL2363135	IC50	4.01	4.01	98000.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Nucleic Acid	EC50	=	12000.0	nM	4.92	Binding affinity to RNA by RNA fluorescence assay	21041083
Unchecked	EC50	=	12000.0	nM	4.92	Binding affinity to 2AP-labelled duplex RNA (unknown origin) by fluorescence spe...	24457095
Bacterial 70S ribosome	IC50	=	98000.0	nM	4.01	Binding affinity to Escherichia coli ribosome assessed as inhibition of transcri...	21041083
Bacterial 70S ribosome	IC50	=	98000.0	nM	4.01	Binding affinity to Escherichia coli ribosome assessed as inhibition of transcri...	24457095

PubMed	DOI	Target Context	# Activities
21041083	10.1016/j.bmcl.2010.10.001	Nucleic Acid	1
21041083	10.1016/j.bmcl.2010.10.001	Bacterial 70S ribosome	1
21041083	10.1016/j.bmcl.2010.10.001	Ribosome	1
24457095	10.1016/j.bmc.2013.12.068	Bacterial 70S ribosome	1
24457095	10.1016/j.bmc.2013.12.068	Unchecked	1

Data from ChEMBL 36 via Core Engine