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Compound Detail

CHEMBL294443

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C1CCC(C23CC4CC(CC(C4)C2)C3)NC1

Basic Information

ChEMBL ID CHEMBL294443
Phase Preclinical
Structure Type MOL
InChI Key CGRWFWOAXCFBRF-UHFFFAOYSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

219.4
MW (Da)
3.34
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H25N
MW 219.37
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 0.95

Activity Summary

EC50 2 meas. best 6.0
Kd 1 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 6.0 5.74 1000.0 2
Matrix protein 2
CHEMBL1932894
Kd 5.82 5.82 1510.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

Data from ChEMBL 36 via Core Engine