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Compound Detail

CHEMBL144597

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NC(=O)N1CCC(CC(=O)N2CCN([C@@H]3c4ccc(Cl)c(Br)c4CCc4cc(Br)cnc43)CC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL144597
Phase Preclinical
Structure Type MOL
InChI Key VABJTMPBSQEKRT-RUZDIDTESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

639.8
MW (Da)
4.77
ALogP
4
HBA
1
HBD
82.8
PSA (Ų)
0.52
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 C26H30Br2ClN5O2
MW 639.82
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -0.82

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