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Compound Detail

CHEMBL298613

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COC(=O)c1cccc(-c2ccc(NCc3ccccc3S)cc2-c2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL298613
Phase Preclinical
Structure Type MOL
InChI Key MHKDPPYONZXCMB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

425.6
MW (Da)
6.71
ALogP
4
HBA
2
HBD
38.3
PSA (Ų)
0.27
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H23NO2S
MW 425.55
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.67

Literature References

PubMed DOI Target Context # Activities
11754590 10.1021/jm0103099 Protein farnesyltransferase 1
11754590 10.1021/jm0103099 Geranylgeranyl transferase type I 1

Data from ChEMBL 36 via Core Engine