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Compound Detail

CHEMBL29701

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O=C1CCCCC/C1=C\c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL29701
Phase Preclinical
Structure Type MOL
InChI Key BQCRDGOBIZRDJH-ACCUITESSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

200.3
MW (Da)
3.60
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H16O
MW 200.28
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.23

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
10212121 10.1021/jm9806695 P388 2
10212121 10.1021/jm9806695 L1210 2
10212121 10.1021/jm9806695 MOLT-4 2
10212121 10.1021/jm9806695 CCRF-CEM 2
10212121 10.1021/jm9806695 Tumor Cell line 1

Data from ChEMBL 36 via Core Engine