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Compound Detail

CHEMBL102085

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O=S(=O)(c1ccc2ccccc2c1)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL102085
Phase Preclinical
Structure Type MOL
InChI Key PLISDVMYAHBBIT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

501.1
MW (Da)
6.27
ALogP
3
HBA
0
HBD
50.3
PSA (Ų)
0.33
QED
2
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H25ClN2O2S
MW 501.05
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(96)00558-6 Protein farnesyltransferase 1

Data from ChEMBL 36 via Core Engine