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Compound Detail

CHEMBL2204184

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CCCCOc1cc(NC(=O)N2CCCC2c2ccccc2)ccc1OC

Basic Information

ChEMBL ID CHEMBL2204184
Phase Preclinical
Structure Type MOL
InChI Key IZLVKYNEGPGURX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.5
MW (Da)
5.24
ALogP
3
HBA
1
HBD
50.8
PSA (Ų)
0.68
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28N2O3
MW 368.48
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.16

Activity Summary

IC50 1 meas. best 6.98

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.98 6.98 105.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 105.0 nM 6.98 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