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Compound Detail

CHEMBL1630359

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O=C1/C(=C/c2ccc(N3CCCC3)cc2)Oc2ccc(O)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1630359
Phase Preclinical
Structure Type MOL
InChI Key YPRIVQMKQLQRKE-WQRHYEAKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

307.4
MW (Da)
3.61
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17NO3
MW 307.35
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.34

Literature References

PubMed DOI Target Context # Activities
20974505 10.1016/j.ejmech.2010.09.061 ADMET 2
20974505 10.1016/j.ejmech.2010.09.061 HUVEC 1
20974505 10.1016/j.ejmech.2010.09.061 MCF7 1
20974505 10.1016/j.ejmech.2010.09.061 A549 1

Data from ChEMBL 36 via Core Engine