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Compound Detail

CHEMBL356500

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O=C(Cc1cc[n+]([O-])cc1)N1CCN([C@@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Cl)c32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL356500
Phase Preclinical
Structure Type MOL
InChI Key TVUZXHJCUAQECC-VWLOTQADSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

562.3
MW (Da)
4.36
ALogP
4
HBA
0
HBD
63.4
PSA (Ų)
0.35
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23BrCl2N4O2
MW 562.30
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.96

Literature References

PubMed DOI Target Context # Activities
9822558 10.1021/jm980462b Protein farnesyltransferase 2
9822558 10.1021/jm980462b COS-7 1

Data from ChEMBL 36 via Core Engine