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Compound Detail

CHEMBL5778053

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COC1CCN(Cc2c(C3CC3)cc(C)c3[nH]ccc23)C(c2ccc(C(=O)O)cc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5778053
Phase Preclinical
Structure Type MOL
InChI Key CKPFEBYAYLCXDR-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

418.5
MW (Da)
5.40
ALogP
3
HBA
2
HBD
65.6
PSA (Ų)
0.56
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30N2O3
MW 418.54
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.03

Activity Summary

IC50 2 meas. best 11.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Complement factor B
CHEMBL5731
 IC50 11.0 10.065 0.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Complement factor B IC50 = 0.01 nM 11.0 Human Complement Factor B TR-FRET Assay: CVF-Bb complex prepared from purified c... -
Complement factor B IC50 = 0.74 nM 9.13 Human Complement Factor B TR-FRET Assay: CVF-Bb complex prepared from purified c... -

Data from ChEMBL 36 via Core Engine