Compound Detail

CHEMBL313493

METHANESULFONIC ACID METHYL ESTER

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COS(C)(=O)=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL313493
Name	METHANESULFONIC ACID METHYL ESTER
Phase	Preclinical
Structure Type	MOL
InChI Key	MBABOKRGFJTBAE-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

110.1

MW (Da)

-0.41

ALogP

HBA

HBD

43.4

PSA (Å²)

0.43

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

EC50 1 meas.

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL3885881	Rattus norvegicus	270
34415160	10.1021/acs.jmedchem.1c00615	Calf thymus DNA	6
21839641	10.1016/j.bmc.2011.07.026	Nucleic Acid	5
2296022	10.1021/jm00163a042	Nucleic Acid	3
2296022	10.1021/jm00163a042	L1210	3
18622389	10.1038/nchembio.100	Saccharomyces cerevisiae	2
34364164	10.1016/j.ejmech.2021.113722	ADMET	2
33385851	10.1016/j.ejmech.2020.113100	ADMET	2
36561066	10.1039/d2md00194b	Caulobacter vibrioides	1
34182359	10.1016/j.ejmech.2021.113646	ADMET	1
28635296	10.1021/acs.jmedchem.7b00621	Escherichia coli	1
20926620	10.1124/dmd.110.035600	HEK293	1
23571415	10.1124/mol.112.084152	Solute carrier organic anion transporter family member 1B3	1
23571415	10.1124/mol.112.084152	Solute carrier organic anion transporter family member 1B1	1
9535788	10.1006/bbrc.1998.8388	ATP-dependent translocase ABCB1	1
22455312	10.1021/jm201537d	DNA repair nuclease/redox regulator APEX1	1
21839641	10.1016/j.bmc.2011.07.026	MCF7	1
16862141	10.1038/nchembio809	Cellular tumor antigen p53	1
2299638	10.1021/jm00164a041	Mus musculus	1

Data from ChEMBL 36 via Core Engine