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Compound Detail

CHEMBL168469

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CCCCn1c(-c2ccccc2)c(CC(=O)N(Cc2ccncc2)C(C)C)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL168469
Phase Preclinical
Structure Type MOL
InChI Key PAUHETWEYNGFFZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

439.6
MW (Da)
6.48
ALogP
3
HBA
0
HBD
38.1
PSA (Ų)
0.30
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H33N3O
MW 439.60
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.14

Literature References

PubMed DOI Target Context # Activities
11294379 10.1016/s0960-894x(01)00061-0 Protein farnesyltransferase 1

Data from ChEMBL 36 via Core Engine