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Compound Detail

CHEMBL3115249

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Cn1cncc1C(C)(O)[C@]12C[C@H]1c1cccnc1[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3115249
Phase Preclinical
Structure Type MOL
InChI Key JINSQACWIAVMPU-ITAHOCTGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

550.1
MW (Da)
4.76
ALogP
7
HBA
1
HBD
83.7
PSA (Ų)
0.51
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 C30H36ClN5O3
MW 550.10
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -0.54

Literature References

PubMed DOI Target Context # Activities
24462667 10.1016/j.bmcl.2013.12.046 NIH-H 1
24462667 10.1016/j.bmcl.2013.12.046 Protein farnesyltransferase 1

Data from ChEMBL 36 via Core Engine