Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL38502

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Nc1ccccc1C(=O)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL38502
Phase Preclinical
Structure Type MOL
InChI Key FDPVTENMNDHFNK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

212.2
MW (Da)
2.52
ALogP
2
HBA
2
HBD
55.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12N2O
MW 212.25
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.17

Literature References

PubMed DOI Target Context # Activities
3735320 10.1021/jm00158a038 Mus musculus 6
- 10.1007/s00044-010-9537-5 Aspergillus niger 2
- 10.1007/s00044-010-9537-5 Candida albicans 2
- 10.1007/s00044-010-9537-5 Escherichia coli 2
- 10.1007/s00044-010-9537-5 Bacillus subtilis 2
- 10.1007/s00044-010-9537-5 Staphylococcus aureus 2
- 10.1016/S0960-894X(01)80782-4 Bos taurus 1
18363350 10.1021/jm701191z Prostaglandin G/H synthase 1 1
18363350 10.1021/jm701191z Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine