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Compound Detail

CHEMBL108589

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CC1CN2C(=O)CNc3cc(Cl)cc(c32)CN1CC1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL108589
Phase Preclinical
Structure Type MOL
InChI Key RFUADSKCKCQAFG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

305.8
MW (Da)
2.71
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.91
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 C16H20ClN3O
MW 305.81
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.58

Literature References

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

Data from ChEMBL 36 via Core Engine