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Compound Detail

CHEMBL323215

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COc1nc2cccc3c2n1CC(C)N(CC=C(C)C)C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL323215
Phase Preclinical
Structure Type MOL
InChI Key FURQJJKMMDAQSF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

285.4
MW (Da)
3.22
ALogP
4
HBA
0
HBD
30.3
PSA (Ų)
0.81
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 C17H23N3O
MW 285.39
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.13

Literature References

PubMed DOI Target Context # Activities
1956037 10.1021/jm00115a007 MT4 1

Data from ChEMBL 36 via Core Engine