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Compound Detail

CHEMBL522998

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c1ccc2c(C(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)c[nH]c2c1

Basic Information

ChEMBL ID CHEMBL522998
Phase Preclinical
Structure Type MOL
InChI Key AXZRNKFNIAOZEK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
6.31
ALogP
0
HBA
3
HBD
47.4
PSA (Ų)
0.33
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C25H19N3
MW 361.45
Aromatic Rings 6
Heavy Atoms 28
NP-Likeness -0.03

Literature References

PubMed DOI Target Context # Activities
28406627 10.1021/acs.jmedchem.6b01593 G-protein coupled receptor 84 5
- 10.1007/s00044-013-0737-7 ADMET 2
- 10.6019/CHEMBL4888484 Plasmodium falciparum 2
28406627 10.1021/acs.jmedchem.6b01593 Free fatty acid receptor 4 2
- 10.1007/s00044-013-0737-7 NON-PROTEIN TARGET 2
14640534 10.1021/np030288g Rhizomucor miehei 1
14640534 10.1021/np030288g Candida albicans 1
- 10.1007/s00044-013-0737-7 Lactococcus lactis 1
- 10.1007/s00044-013-0737-7 Bacillus subtilis 1
- 10.1007/s00044-013-0737-7 Staphylococcus aureus 1
14640534 10.1021/np030288g Escherichia coli 1
- 10.1007/s00044-013-0737-7 Escherichia coli 1
- 10.1007/s00044-013-0737-7 Proteus mirabilis 1
- 10.1007/s00044-013-0737-7 Shigella flexneri 1
- 10.1007/s00044-013-0737-7 Pseudomonas aeruginosa 1
- 10.1007/s00044-013-0737-7 Mycolicibacterium smegmatis 1
14640534 10.1021/np030288g Streptomyces viridochromogenes 1
28406627 10.1021/acs.jmedchem.6b01593 Free fatty acid receptor 1 1
14640534 10.1021/np030288g Bacillus subtilis 1
14640534 10.1021/np030288g Staphylococcus aureus 1

Data from ChEMBL 36 via Core Engine