Compound Detail

CHEMBL1162496

3-HYDROXYBUTYRIC ACID, (+/-)-

Phase I

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Phase I

CC(O)CC(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1162496
Name	3-HYDROXYBUTYRIC ACID, (+/-)-
Phase	Phase I
Structure Type	MOL
InChI Key	WHBMMWSBFZVSSR-UHFFFAOYSA-N

Known Names

.beta.-hydroxybutyric acid 3-hydroxybutanoate 3-hydroxybutyric acid, (+/-)- Beta-hydroxy-butyrate Beta-hydroxybutyrate Beta-hydroxybutyric acid D,l-3 hydroxybutyrate D,l-3-hydroxybutyric acid Hydroxybutyric acid, dl- NSC-3806

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

104.1

MW (Da)

-0.16

ALogP

HBA

HBD

57.5

PSA (Å²)

0.51

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Racemic

Flags

Natural Product

Extended Properties

Molecular Formula	C4H8O3
MW	104.11
Aromatic Rings	0
Heavy Atoms	7
NP-Likeness	1.18

Activity Summary

Ki 5 meas.

IC50 1 meas.

Literature References

PubMed	DOI	Target Context	# Activities
17553798	10.1074/jbc.m703467200	Solute carrier family 22 member 6	2
17553798	10.1074/jbc.m703467200	Solute carrier family 22 member 20	2
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
17553798	10.1074/jbc.m703467200	Unchecked	1
9639576	10.1042/bj3330167	Monocarboxylate transporter 1	1
9786900	10.1074/jbc.273.44.28959	Monocarboxylate transporter 1	1
9786900	10.1074/jbc.273.44.28959	Monocarboxylate transporter 2	1
9374487	10.1074/jbc.272.48.30096	Monocarboxylate transporter 1	1
10417314	10.1042/0264-6021:3410529	Monocarboxylate transporter 2	1
-	10.21203/rs.3.rs-23951/v1	SARS-CoV-2	1
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	1
34062252	10.1016/j.bmcl.2021.128160	Unchecked	1

Data from ChEMBL 36 via Core Engine