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Compound Detail

CHEMBL2204165

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COc1ccc(NC(=O)N(CCO)[C@@H](C)c2ccccc2)cc1OCCCC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2204165
Phase Preclinical
Structure Type MOL
InChI Key AQTAHPRLHPDOLM-IBGZPJMESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

414.6
MW (Da)
5.10
ALogP
4
HBA
2
HBD
71.0
PSA (Ų)
0.50
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H34N2O4
MW 414.55
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.90

Activity Summary

IC50 1 meas. best 6.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.49 6.49 323.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 323.0 nM 6.49 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