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Compound Detail

CHEMBL5839570

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Cc1cc(C2CC2)c(CN2CCCC[C@H]2c2ccc(C(=O)O)nc2)c2cc[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5839570
Phase Preclinical
Structure Type MOL
InChI Key CTLRFIOXKNONCU-QFIPXVFZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

389.5
MW (Da)
5.17
ALogP
3
HBA
2
HBD
69.2
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 C24H27N3O2
MW 389.50
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.23

Activity Summary

IC50 1 meas. best 10.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Complement factor B
CHEMBL5731
 IC50 10.4 10.4 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Complement factor B IC50 = 0.04 nM 10.4 Human Complement Factor B TR-FRET Assay: CVF-Bb complex prepared from purified c... -

Data from ChEMBL 36 via Core Engine