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Compound Detail

CHEMBL6029491

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COc1cc(C)c2[nH]ccc2c1CN1CCC(C)(OC)CC1c1ccc(C(N)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6029491
Phase Preclinical
Structure Type MOL
InChI Key PTVJLZRVTIPNBU-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

421.5
MW (Da)
4.33
ALogP
4
HBA
2
HBD
80.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31N3O3
MW 421.54
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 0.06

Activity Summary

IC50 2 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Complement factor B
CHEMBL5731
 IC50 7.96 6.46 11.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Complement factor B IC50 = 11.0 nM 7.96 Human Complement Factor B TR-FRET Assay: CVF-Bb complex prepared from purified c... -
Complement factor B IC50 = 11000.0 nM 4.96 Human Complement Factor B TR-FRET Assay: CVF-Bb complex prepared from purified c... -

Data from ChEMBL 36 via Core Engine