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Compound Detail

CHEMBL5759287

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Cc1cc(C2CC2)c(CN2CCCC[C@H]2c2ccc(C(=O)O)cc2)c2cc[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5759287
Phase Preclinical
Structure Type MOL
InChI Key WSIQSCQIHXKNLR-QHCPKHFHSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

388.5
MW (Da)
5.78
ALogP
2
HBA
2
HBD
56.3
PSA (Ų)
0.58
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28N2O2
MW 388.51
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.26

Activity Summary

IC50 2 meas. best 10.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Complement factor B
CHEMBL5731
 IC50 10.7 9.21 0.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Complement factor B IC50 = 0.02 nM 10.7 Human Complement Factor B TR-FRET Assay: CVF-Bb complex prepared from purified c... -
Complement factor B IC50 = 19.0 nM 7.72 Human Complement Factor B TR-FRET Assay: CVF-Bb complex prepared from purified c... -

Data from ChEMBL 36 via Core Engine