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Compound Detail

CHEMBL3932453

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CCC[C@@H]1C[C@@H](NCc2ccccc2)C[C@@]2(O1)C(=O)N(C)c1cccc(Br)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3932453
Phase Preclinical
Structure Type MOL
InChI Key AQUXMTHQBTYXOM-PNCHPQGNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

443.4
MW (Da)
4.76
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27BrN2O2
MW 443.38
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.27

Literature References

PubMed DOI Target Context # Activities
27876317 10.1016/j.bmcl.2016.11.008 Sterol O-acyltransferase 2 2
27876317 10.1016/j.bmcl.2016.11.008 Sterol O-acyltransferase 1 2

Data from ChEMBL 36 via Core Engine