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Compound Detail

CHEMBL592000

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CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)C12CC3CC(CC(C3)C1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL592000
Phase Preclinical
Structure Type MOL
InChI Key JKDZVYIETMKGIY-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

722.9
MW (Da)
3.30
ALogP
9
HBA
6
HBD
208.9
PSA (Ų)
0.05
QED
2
Ro5 Violations
25
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H62N6O9
MW 722.93
Aromatic Rings 0
Heavy Atoms 51
NP-Likeness -0.12

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
28285915 10.1016/j.bmcl.2017.03.001 SK-N-BE(2)-M17 12
28285915 10.1016/j.bmcl.2017.03.001 No relevant target 4
20041672 10.1021/jm9016703 No relevant target 3
20041672 10.1021/jm9016703 SK-N-MC 2
28285915 10.1016/j.bmcl.2017.03.001 Astrocyte 2
20041672 10.1021/jm9016703 Serotransferrin 1
20041672 10.1021/jm9016703 MDCK 1

Data from ChEMBL 36 via Core Engine