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Compound Detail

CHEMBL107553

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CC(C)=CCN1Cc2cccc3nc(N(C)C)n(c23)CC1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL107553
Phase Preclinical
Structure Type MOL
InChI Key XPRRAZOZAHQIHS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.4
MW (Da)
3.27
ALogP
4
HBA
0
HBD
24.3
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 C18H26N4
MW 298.43
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.32

Literature References

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

Data from ChEMBL 36 via Core Engine