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Compound Detail

CHEMBL5909766

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Cc1cc(C2CC2)c(CN2CCCC2c2ccc(C(=O)O)cc2)c2cc[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5909766
Phase Preclinical
Structure Type MOL
InChI Key HTBXOVPODOBJFN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

374.5
MW (Da)
5.39
ALogP
2
HBA
2
HBD
56.3
PSA (Ų)
0.63
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N2O2
MW 374.48
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.25

Activity Summary

IC50 1 meas. best 9.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Complement factor B
CHEMBL5731
 IC50 9.92 9.92 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Complement factor B IC50 = 0.12 nM 9.92 Human Complement Factor B TR-FRET Assay: CVF-Bb complex prepared from purified c... -

Data from ChEMBL 36 via Core Engine