Compound Detail

CHEMBL508287

ATRARIC ACID

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COC(=O)c1c(C)cc(O)c(C)c1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL508287
Name	ATRARIC ACID
Phase	Preclinical
Structure Type	MOL
InChI Key	UUQHKWMIDYRWHH-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

196.2

MW (Da)

1.50

ALogP

HBA

HBD

66.8

PSA (Å²)

0.67

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 4 meas.

PubMed	DOI	Target Context	# Activities
30420328	10.1016/j.bmc.2018.10.035	U-937	8
30420328	10.1016/j.bmc.2018.10.035	Toll-like receptor 4	4
21351753	10.1021/jf1049613	Athelia rolfsii	4
21351753	10.1021/jf1049613	Rhizoctonia solani	4
21351753	10.1021/jf1049613	Macrophomina phaseolina	4
21351753	10.1021/jf1049613	Fusarium udum	4
21351753	10.1021/jf1049613	Pythium aphanidermatum	4
21351753	10.1021/jf1049613	Globisporangium debaryanum	4
11076561	10.1021/np0001326	Echinochloa crus-galli	2
28079378	10.1021/acs.jnatprod.6b00831	Streptococcus mutans	2
28079378	10.1021/acs.jnatprod.6b00831	Porphyromonas gingivalis	2
10395495	10.1021/np980378z	HaCaT	2
10395494	10.1021/np9803777	Unchecked	2
11076561	10.1021/np0001326	Amaranthus hypochondriacus	2
20826091	10.1016/j.bmc.2010.08.029	LNCaP	1
29019405	10.1021/acs.jnatprod.6b01046	Candida albicans	1
10395494	10.1021/np9803777	PMNL	1
-	10.1021/np50037a043	Escherichia coli	1
-	10.1021/np50037a043	Bacillus subtilis	1
-	10.1021/np50037a043	Saccharomyces cerevisiae	1

Data from ChEMBL 36 via Core Engine