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Compound Detail

CHEMBL1556481

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O=C(c1ccc(CNc2c(N3CCCC3)c(=O)c2=O)cc1)N1CC=C(c2ccccc2)CC1

Basic Information

ChEMBL ID CHEMBL1556481
Phase Preclinical
Structure Type MOL
InChI Key LEUYZVSYQNJIQX-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

441.5
MW (Da)
3.42
ALogP
5
HBA
1
HBD
69.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H27N3O3
MW 441.53
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.94

Activity Summary

IC50 2 meas. best 6.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.12 5.98 760.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine