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Compound Detail

CHEMBL4176751

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NCc1cccc(-c2cccc(NC(=O)CCc3ccccc3)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4176751
Phase Preclinical
Structure Type MOL
InChI Key MWOUCVQIGQKXGO-UHFFFAOYSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
4.38
ALogP
2
HBA
2
HBD
55.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N2O
MW 330.43
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.87

Activity Summary

IC50 1 meas.
Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
29795765 10.1021/acsmedchemlett.8b00104 Complement factor D 2

Data from ChEMBL 36 via Core Engine