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Compound Detail

CHEMBL191430

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COc1ccc2c(c1)C(=O)CC(CCN1CCC3(CC1)NCNC3=O)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL191430
Phase Preclinical
Structure Type MOL
InChI Key DZMJHVNCESEYBF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
1.34
ALogP
5
HBA
2
HBD
70.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H27N3O3
MW 357.45
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.05

Literature References

PubMed DOI Target Context # Activities
15878662 10.1016/j.bmcl.2005.04.022 Unchecked 3

Data from ChEMBL 36 via Core Engine