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Compound Detail

CHEMBL516502

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O=C(O)c1ccc2cc(-c3cccc(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL516502
Phase Preclinical
Structure Type MOL
InChI Key PAUUABBTUMLNCS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
6.67
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.55
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26O2
MW 382.50
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.07

Literature References

PubMed DOI Target Context # Activities
18759424 10.1021/jm800456k Unchecked 2
18759424 10.1021/jm800456k MDA-MB-231 2
18759424 10.1021/jm800456k ADMET 2
18759424 10.1021/jm800456k NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine