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Compound Detail

CHEMBL2448142

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CCN(CC)c1ccc2c(-c3ccccc3C(C)=O)c3ccc(=[N+](CC)CC)cc-3oc2c1.[Cl-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2448142
Phase Preclinical
Structure Type MOL
InChI Key XDGZSIZESAKKLV-UHFFFAOYSA-M
Parent Compound CHEMBL551133
Active Moiety CHEMBL551133
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

441.6
MW (Da)
6.07
ALogP
3
HBA
0
HBD
36.5
PSA (Ų)
0.20
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H33ClN2O2
MW 477.05
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.28

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17848563 10.1074/jbc.m706175200 ATP-dependent translocase ABCB1 4
17284452 10.1074/jbc.m608207200 Unchecked 3
17848563 10.1074/jbc.m706175200 Unchecked 2

Data from ChEMBL 36 via Core Engine