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Compound Detail

CHEMBL195911

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COc1cc(C2C(C#N)=C(N)Oc3cc(N4CCOCC4)ccc32)cc2c1OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL195911
Phase Preclinical
Structure Type MOL
InChI Key PYYJNOYTDVXKQT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

407.4
MW (Da)
2.48
ALogP
8
HBA
1
HBD
99.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21N3O5
MW 407.43
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
16143530 10.1016/j.bmcl.2005.07.066 T47D 1
16143530 10.1016/j.bmcl.2005.07.066 NCI-H1299 1

Data from ChEMBL 36 via Core Engine