Compound Detail

CHEMBL1235017

OROTIC ACID

🧪 Phase II

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🧪 Phase II

O=C(O)c1cc(=O)[nH]c(=O)[nH]1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1235017
Name	OROTIC ACID
Phase	Phase II
Structure Type	MOL
InChI Key	PXQPEWDEAKTCGB-UHFFFAOYSA-N

Known Names

Acide orotique Acido orotico Animal galactose factor NSC-9791 Oropur Orotic acid Orotyl Whey factor

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

156.1

MW (Da)

-1.24

ALogP

HBA

HBD

103.0

PSA (Å²)

0.47

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Flags

Natural Product

Extended Properties

Molecular Formula	C5H4N2O4
MW	156.10
Aromatic Rings	1
Heavy Atoms	11
NP-Likeness	-0.21

Activity Summary

EC50 2 meas.

IC50 2 meas. best 2.64

Ki 1 meas. best 4.14

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	Ki	4.14	4.14	72210.0	1
Unchecked CHEMBL612545	IC50	2.64	2.64	2300000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	Ki	=	72210.0	nM	4.14	Inhibition of Trypanosoma cruzi dihydroorotate dehydrogenase by isothermal titra...	20965617
Unchecked	IC50	=	2300000.0	nM	2.64	Inhibition of Mycobacterium tuberculosis Uracil-DNA glycosylase using 5' 32P end...	37399710

Literature References

PubMed	DOI	Target Context	# Activities
30145372	10.1016/j.ejmech.2018.08.033	Dihydroorotate dehydrogenase (fumarate)	6
-	10.6019/CHEMBL4495565	SARS-CoV-2	4
20014752	10.1021/tx900326k	Hepatotoxicity	3
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	2
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
-	10.5281/zenodo.7360607	Solute carrier family 2, facilitated glucose transporter member 9	2
37399710	10.1016/j.ejmech.2023.115604	Unchecked	2
20965617	10.1016/j.ejmech.2010.09.055	Unchecked	1
17629592	10.1016/j.ejmech.2007.05.007	No relevant target	1
-	10.1101/2020.04.03.023846	SARS-CoV-2	1
-	10.21203/rs.3.rs-23951/v1	SARS-CoV-2	1

Data from ChEMBL 36 via Core Engine