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Compound Detail

CHEMBL5981804

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COc1cc(C)c2[nH]ccc2c1CN1CCC2(CC2)CC1c1ccc(C(=O)O)cc1

Basic Information

ChEMBL ID CHEMBL5981804
Phase Preclinical
Structure Type MOL
InChI Key GTZIJSWOJBPQBP-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

404.5
MW (Da)
5.30
ALogP
3
HBA
2
HBD
65.6
PSA (Ų)
0.61
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28N2O3
MW 404.51
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 0.09

Activity Summary

IC50 2 meas. best 11.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Complement factor B
CHEMBL5731
IC50 11.0 9.48 0.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine