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Compound Detail

CHEMBL3115264

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Cn1cncc1[C@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(C(N)=O)CC2)c2ccc(Cl)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3115264
Phase Preclinical
Structure Type MOL
InChI Key HQRMLYBYQCBWRT-UKILVPOCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

479.0
MW (Da)
3.02
ALogP
6
HBA
2
HBD
100.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27ClN6O2
MW 478.98
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.68

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