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Compound Detail

CHEMBL6000572

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COC1CCN(Cc2c(C3CC3)cc(C)c3[nH]ccc23)C(c2ccc(C(=O)O)nc2)C1

Basic Information

ChEMBL ID CHEMBL6000572
Phase Preclinical
Structure Type MOL
InChI Key LLFJQBNRYWKMTC-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
4.80
ALogP
4
HBA
2
HBD
78.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29N3O3
MW 419.53
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.01

Activity Summary

IC50 2 meas. best 10.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Complement factor B
CHEMBL5731
IC50 10.52 9.045 0.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine