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Compound Detail

CHEMBL1723657

6-CHLORONICOTINIC ACID
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O=C(O)c1ccc(Cl)nc1

Basic Information

ChEMBL ID CHEMBL1723657
Name 6-CHLORONICOTINIC ACID
Phase Preclinical
Structure Type MOL
InChI Key UAWMVMPAYRWUFX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

157.6
MW (Da)
1.43
ALogP
2
HBA
1
HBD
50.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H4ClNO2
MW 157.56
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness -1.19

Activity Summary

Ki 1 meas. best 9.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinate phosphoribosyltransferase
CHEMBL4523354
Ki 9.25 9.25 0.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nicotinate phosphoribosyltransferase Ki = 0.56 nM 9.25 Inhibition of NAPRT (unknown origin) -

Literature References

PubMed DOI Target Context # Activities
21476569 10.1021/jf200485k Aldehyde oxidase 1 2
21476569 10.1021/jf200485k Unchecked 2
21476569 10.1021/jf200485k Tyrosinase 2
24499135 10.1021/jm401808n Staphylococcus aureus 2
21476569 10.1021/jf200485k Catalase 1
24499135 10.1021/jm401808n Quinolone resistance protein NorA 1

Data from ChEMBL 36 via Core Engine