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Compound Detail

CHEMBL175606

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Cc1ccc(/C=C\c2ccc3ccccc3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL175606
Phase Preclinical
Structure Type MOL
InChI Key CXELECXZLMQZEW-KHPPLWFESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

244.3
MW (Da)
5.32
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.54
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16
MW 244.34
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.17

Literature References

PubMed DOI Target Context # Activities
15658869 10.1021/jm0310737 P388 1
15658869 10.1021/jm0310737 A549 1
15658869 10.1021/jm0310737 HT-29 1
15658869 10.1021/jm0310737 SK-MEL-28 1
15658869 10.1021/jm0310737 HCT-116 1

Data from ChEMBL 36 via Core Engine