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Compound Detail

CHEMBL3673860

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NC(=O)n1cc(NC(=O)N2NCC[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3673860
Phase Preclinical
Structure Type MOL
InChI Key KTRVHRSZZUDEIH-KRWDZBQOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

458.9
MW (Da)
2.79
ALogP
5
HBA
4
HBD
121.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20ClFN6O3
MW 458.88
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.33

Activity Summary

IC50 1 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Complement factor D
CHEMBL2176771
 IC50 8.15 8.15 7.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Complement factor D IC50 = 7.0 nM 8.15 In Vitro Assay: Recombinant human factor D (expressed in E. coli and purified us... -

Data from ChEMBL 36 via Core Engine