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Compound Detail

CHEMBL155250

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O=C(c1cccc2c(NCCNCCNCCNc3c4ccccc4nc4c(C(=O)N5CCOCC5)cccc34)c3ccccc3nc12)N1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL155250
Phase Preclinical
Structure Type MOL
InChI Key KIYKEGALJIPYNQ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

726.9
MW (Da)
4.74
ALogP
10
HBA
4
HBD
133.0
PSA (Ų)
0.10
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C42H46N8O4
MW 726.88
Aromatic Rings 6
Heavy Atoms 54
NP-Likeness -0.63

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
14667232 10.1021/jm030253d CCRF-CEM 1

Data from ChEMBL 36 via Core Engine