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Compound Detail

CHEMBL1770492

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CC1=NN(C(=O)c2ccccc2)C(c2cccc(C)c2O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1770492
Phase Preclinical
Structure Type MOL
InChI Key GXBNYSSRGIAGID-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
3.66
ALogP
3
HBA
1
HBD
52.9
PSA (Ų)
0.92
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 C18H18N2O2
MW 294.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.63

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
21486698 10.1016/j.bmcl.2011.03.066 SGC-7901 1
21486698 10.1016/j.bmcl.2011.03.066 HepG2 1
21486698 10.1016/j.bmcl.2011.03.066 PC-3 1

Data from ChEMBL 36 via Core Engine