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Compound Detail

CHEMBL4756677

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COc1cc(C(=O)O)c(NC(=O)N[C@@H](C)c2ccccc2)cc1OCCCC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4756677
Phase Preclinical
Structure Type MOL
InChI Key KNEYBDJYRHSGFC-INIZCTEOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

414.5
MW (Da)
5.09
ALogP
4
HBA
3
HBD
96.9
PSA (Ų)
0.47
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H30N2O5
MW 414.50
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.78

Activity Summary

IC50 1 meas. best 6.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Complement C5
CHEMBL2364163
 IC50 6.21 6.21 620.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Complement C5 IC50 = 620.0 nM 6.21 Inhibition of C5 complement protein in 2% human serum incubated for 15 mins 32482069

Literature References

PubMed DOI Target Context # Activities
32482069 10.1021/acs.jmedchem.9b01033 Complement C5 1
32482069 10.1021/acs.jmedchem.9b01033 No relevant target 1

Data from ChEMBL 36 via Core Engine