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Compound Detail

CHEMBL3217099

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COc1ccc2nc3cc(Cl)ccc3c(NC(C)CCCN(CCCl)CCCl)c2c1.Cl.Cl.Cl.Cl.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3217099
Phase Preclinical
Structure Type MOL
InChI Key GWAWXNKODHJOQD-UHFFFAOYSA-N
Parent Compound CHEMBL1190232
Active Moiety CHEMBL1190232
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

468.9
MW (Da)
6.41
ALogP
4
HBA
1
HBD
37.4
PSA (Ų)
0.26
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H33Cl8N3O
MW 651.16
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.79

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17284452 10.1074/jbc.m608207200 Unchecked 3

Data from ChEMBL 36 via Core Engine