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Compound Detail

CHEMBL2204224

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CCCCCOc1cc(NC(=O)N[C@@H](C)c2ccccc2)cc(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2204224
Phase Preclinical
Structure Type MOL
InChI Key CHUKSHPJSWLECQ-INIZCTEOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.5
MW (Da)
5.15
ALogP
3
HBA
2
HBD
59.6
PSA (Ų)
0.61
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H28N2O3
MW 356.47
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.21

Activity Summary

IC50 1 meas. best 6.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.57 6.57 270.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 270.0 nM 6.57 Inhibition of complement system in human fetal serum assessed as inhibition of h... 24900471

Literature References

PubMed DOI Target Context # Activities
24900471 10.1021/ml300005w Unchecked 1

Data from ChEMBL 36 via Core Engine