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Compound Detail

CHEMBL551225

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CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCCCNCCCCNCCCN)C(C)(C)CCC1

Basic Information

ChEMBL ID CHEMBL551225
Phase Preclinical
Structure Type MOL
InChI Key QOEZFPWZLVEVHD-ZIZMWOSYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

484.8
MW (Da)
5.33
ALogP
4
HBA
4
HBD
79.2
PSA (Ų)
0.13
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H52N4O
MW 484.77
Aromatic Rings 0
Heavy Atoms 35
NP-Likeness 1.30

Activity Summary

Ki 1 meas. best 5.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 5.62 5.62 2400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 2400.0 nM 5.62 Inhibition of Dictyostelium discoideum AX2 RNase P by double reciprocal plot 19216007

Literature References

PubMed DOI Target Context # Activities
19216007 10.1016/j.ejmech.2009.01.001 Unchecked 1

Data from ChEMBL 36 via Core Engine