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Compound Detail

CHEMBL391566

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COc1ccc2[nH]c3c(c(C)c4c(NCCCN5CCN(CCCN)CC5)nccc4[n+]3C)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL391566
Phase Preclinical
Structure Type MOL
InChI Key FFFLBIPBVGMZMM-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

476.6
MW (Da)
2.78
ALogP
6
HBA
3
HBD
86.3
PSA (Ų)
0.25
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H38N7O+
MW 476.65
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.46

Literature References

PubMed DOI Target Context # Activities
17376678 10.1016/j.bmcl.2006.09.093 HCT-116 1
17376678 10.1016/j.bmcl.2006.09.093 NIH3T3 1

Data from ChEMBL 36 via Core Engine