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Compound Detail

CHEMBL1234101

LUMICHROME
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Cc1cc2nc3[nH]c(=O)[nH]c(=O)c3nc2cc1C

Basic Information

ChEMBL ID CHEMBL1234101
Name LUMICHROME
Phase Preclinical
Structure Type MOL
InChI Key ZJTJUVIJVLLGSP-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

242.2
MW (Da)
0.78
ALogP
4
HBA
2
HBD
91.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H10N4O2
MW 242.24
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.73

Activity Summary

IC50 2 meas. best 2.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 2.82 2.82 1500000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1500000.0 nM 2.82 Inhibition of Mycobacterium tuberculosis Uracil-DNA glycosylase using 5' 32P end... 37399710

Literature References

PubMed DOI Target Context # Activities
37027002 10.1021/acs.jmedchem.3c00039 HAT1/Rbap46 2
37399710 10.1016/j.ejmech.2023.115604 Unchecked 2
- 10.6019/CHEMBL4296183 Klebsiella pneumoniae 1
- 10.6019/CHEMBL4296183 Pseudomonas aeruginosa 1
- 10.6019/CHEMBL4296183 Candida albicans 1
- 10.6019/CHEMBL4296183 Cryptococcus neoformans 1
- 10.6019/CHEMBL4296183 Staphylococcus aureus 1
- 10.6019/CHEMBL4296183 Escherichia coli 1
- 10.6019/CHEMBL4296183 Acinetobacter baumannii 1
34516107 10.1021/acs.jmedchem.1c00386 Sortase A 1

Data from ChEMBL 36 via Core Engine