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Compound Detail

CHEMBL154288

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O=C(c1cccc2c(NCCCCCCNc3c4ccccc4nc4c(C(=O)N5CCOCC5)cccc34)c3ccccc3nc12)N1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL154288
Phase Preclinical
Structure Type MOL
InChI Key PYVVBOKWPDXFJR-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

696.9
MW (Da)
7.12
ALogP
8
HBA
2
HBD
108.9
PSA (Ų)
0.11
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C42H44N6O4
MW 696.85
Aromatic Rings 6
Heavy Atoms 52
NP-Likeness -0.62

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