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Compound Detail

CHEMBL463686

PHENAZINE-1-CARBOXYLIC ACID
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O=C(O)c1cccc2nc3ccccc3nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL463686
Name PHENAZINE-1-CARBOXYLIC ACID
Phase Preclinical
Structure Type MOL
InChI Key JGCSKOVQDXEQHI-UHFFFAOYSA-N
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

224.2
MW (Da)
2.48
ALogP
3
HBA
1
HBD
63.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C13H8N2O2
MW 224.22
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -0.15

Activity Summary

IC50 2 meas. best 5.08
EC50 1 meas. best 4.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
BV-2
CHEMBL614781
 IC50 5.08 5.08 8400.0 1
HCT-116
CHEMBL394
 IC50 4.81 4.81 15600.0 1
Unchecked
CHEMBL612545
 EC50 4.32 4.32 47641.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
BV-2 IC50 = 8400.0 nM 5.08 Antineuroinflammatory activity in LPS induced mouse BV-2 cells assessed as inhib... 39140432
HCT-116 IC50 = 15600.0 nM 4.81 Cytotoxicity against human HCT116 cells assessed as growth inhibition after 5 da... 23402329
Unchecked EC50 = 47641.0 nM 4.32 PUBCHEM_BIOASSAY: Screen for small molecule probes relevant to Friedreichs ataxi... -

Literature References

PubMed DOI Target Context # Activities
20166721 10.1021/jf904408c Alternaria solani 2
24617951 10.1021/np400915p Mycolicibacterium vaccae 2
39140432 10.1021/acs.jnatprod.4c00334 BV-2 2
20166721 10.1021/jf904408c Mycosphaerella arachidis 2
20166721 10.1021/jf904408c Fusarium oxysporum 2
20166721 10.1021/jf904408c Fusarium graminearum 2
20166721 10.1021/jf904408c Botryosphaeria berengeriana 2
22775474 10.1021/np2009626 ADMET 1
22775474 10.1021/np2009626 Bacillus subtilis 1
22775474 10.1021/np2009626 Acetylcholinesterase 1
8882433 10.1021/np960095b Bacillus cereus 1
23402329 10.1021/np3005166 LNCaP 1
23402329 10.1021/np3005166 MCF7 1
23402329 10.1021/np3005166 NON-PROTEIN TARGET 1
23402329 10.1021/np3005166 Molecular identity unknown 1
23402329 10.1021/np3005166 HCT-116 1
23402329 10.1021/np3005166 Mycobacterium tuberculosis 1
- 10.1039/C2MD20045G Escherichia coli 1
- 10.1039/C2MD20045G Bacillus subtilis 1
8882433 10.1021/np960095b Staphylococcus aureus 1

Data from ChEMBL 36 via Core Engine