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Compound Detail

CHEMBL517393

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COc1cccc(C2(CNC(=O)Nc3c(C(C)C)cccc3C(C)C)CCNCC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL517393
Phase Preclinical
Structure Type MOL
InChI Key YBEUOHSZZRMCCR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

423.6
MW (Da)
5.38
ALogP
3
HBA
3
HBD
62.4
PSA (Ų)
0.56
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H37N3O2
MW 423.60
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.69

Literature References

PubMed DOI Target Context # Activities
19167888 10.1016/j.bmcl.2009.01.020 Sterol O-acyltransferase 1 1
19167888 10.1016/j.bmcl.2009.01.020 HepG2 1

Data from ChEMBL 36 via Core Engine