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Compound Detail

CHEMBL349853

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COc1ccccc1-c1nc2ccccc2c(=O)o1

Basic Information

ChEMBL ID CHEMBL349853
Phase Preclinical
Structure Type MOL
InChI Key UAVIZUPEDGFRTN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

253.3
MW (Da)
2.86
ALogP
4
HBA
0
HBD
52.3
PSA (Ų)
0.70
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 C15H11NO3
MW 253.26
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.68

Activity Summary

IC50 1 meas. best 4.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Complement C1r subcomponent
CHEMBL4611
IC50 4.75 4.75 17700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Complement C1r subcomponent IC50 = 17700.0 nM 4.75 Compound was evaluated for percentage inhibitory activity against C1r serine pro... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00094-7 Complement C1r subcomponent 3

Data from ChEMBL 36 via Core Engine