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Compound Detail

CHEMBL42197

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O=C(O)c1ccc(CC(NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL42197
Phase Preclinical
Structure Type MOL
InChI Key BKEFCGHGDTYZRU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

435.5
MW (Da)
5.62
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.38
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H25NO3
MW 435.52
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.42

Literature References

PubMed DOI Target Context # Activities
7752185 10.1021/jm00010a004 Cricetinae gen. sp. 2
7752185 10.1021/jm00010a004 Sterol O-acyltransferase 1 1

Data from ChEMBL 36 via Core Engine