Compound Detail

CHEMBL512578

MORACIN M

Enter ChEMBL ID:

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

Oc1cc(O)cc(-c2cc3ccc(O)cc3o2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL512578
Name	MORACIN M
Phase	Preclinical
Structure Type	MOL
InChI Key	LHPRYOJTASOZGJ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

242.2

MW (Da)

3.22

ALogP

HBA

HBD

73.8

PSA (Å²)

0.61

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 8 meas. best 6.3

EC50 1 meas. best 4.82

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Prostaglandin G/H synthase 1 CHEMBL221	IC50	6.3	6.3	500.0	1
3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288	IC50	5.54	5.54	2900.0	2
3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275	IC50	5.35	5.35	4500.0	1
Tyrosinase CHEMBL1973	IC50	5.1	5.1	8000.0	1
NON-PROTEIN TARGET CHEMBL3879801	EC50	4.82	4.82	15100.0	1
Prostaglandin G/H synthase 2 CHEMBL230	IC50	4.65	4.65	22300.0	1
HT-29 CHEMBL384	IC50	4.14	4.14	73000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Prostaglandin G/H synthase 1	IC50	=	500.0	nM	6.3	Inhibition of COX1	11858749
3',5'-cyclic-AMP phosphodiesterase 4D	IC50	=	2900.0	nM	5.54	Inhibition of human PDE4D2 catalytic domain (86 to 413) expressed in Escherichia...	22483586
3',5'-cyclic-AMP phosphodiesterase 4D	IC50	=	2910.0	nM	5.54	Inhibition of human PDE4D using 3H-cAMP as substrate after 15 mins by liquid sci...	26473791
3',5'-cyclic-AMP phosphodiesterase 4B	IC50	=	4500.0	nM	5.35	Inhibition of human PDE4B2 catalytic domain and UCR2 (92 to 521) expressed in Es...	22483586
Tyrosinase	IC50	=	8000.0	nM	5.1	Inhibition of tyrosinase (unknown origin)	29763564
NON-PROTEIN TARGET	EC50	=	15100.0	nM	4.82	Antineuroinflammatory activity in mouse BV2 cells assessed as inhibition of LPS-...	26473791
Prostaglandin G/H synthase 2	IC50	=	22300.0	nM	4.65	Inhibition of COX2	11858749
HT-29	IC50	=	73000.0	nM	4.14	Cytotoxicity against human HT-29 cells incubated for 24 hrs by MTT assay	36463729

PubMed	DOI	Target Context	# Activities
26473791	10.1021/acs.jmedchem.5b01222	No relevant target	7
25461329	10.1016/j.ejmech.2014.11.047	Staphylococcus aureus	4
25461329	10.1016/j.ejmech.2014.11.047	Klebsiella pneumoniae	3
25461329	10.1016/j.ejmech.2014.11.047	Pseudomonas aeruginosa	3
25461329	10.1016/j.ejmech.2014.11.047	Escherichia coli	3
26473791	10.1021/acs.jmedchem.5b01222	Amyloid-beta precursor protein	3
23368966	10.1021/np300727f	Tobacco mosaic virus	3
32652408	10.1016/j.ejmech.2020.112541	Human alphaherpesvirus 1	2
25461329	10.1016/j.ejmech.2014.11.047	Microsporum audouinii	2
25461329	10.1016/j.ejmech.2014.11.047	Citrobacter freundii	2
25461329	10.1016/j.ejmech.2014.11.047	Enterococcus faecalis	2
22483586	10.1016/j.bmcl.2012.03.026	Unchecked	2
25461329	10.1016/j.ejmech.2014.11.047	Shigella dysenteriae	2
25461329	10.1016/j.ejmech.2014.11.047	Hypoxia-inducible factor 1-alpha	2
25935644	10.1016/j.bmcl.2015.04.045	Pancreatic triacylglycerol lipase	2
25461329	10.1016/j.ejmech.2014.11.047	Bacillus cereus	2
25461329	10.1016/j.ejmech.2014.11.047	Candida albicans	2
25461329	10.1016/j.ejmech.2014.11.047	Mus musculus	2
25461329	10.1016/j.ejmech.2014.11.047	Salmonella typhi	2
36463729	10.1016/j.ejmech.2022.114962	No relevant target	1

Data from ChEMBL 36 via Core Engine