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Compound Detail

CHEMBL6011435

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COc1cc(C)c2[nH]ccc2c1CN1CCCCC1c1ccc(C(=O)O)c2ccccc12

Basic Information

ChEMBL ID CHEMBL6011435
Phase Preclinical
Structure Type MOL
InChI Key RPFFEOOLBDGISZ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

428.5
MW (Da)
6.06
ALogP
3
HBA
2
HBD
65.6
PSA (Ų)
0.41
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28N2O3
MW 428.53
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.27

Activity Summary

IC50 2 meas. best 10.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Complement factor B
CHEMBL5731
IC50 10.3 8.825 0.1 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine