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Compound Detail

CHEMBL108885

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CNc1nc2cccc3c2n1CC(C)N(CC=C(C)C)C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL108885
Phase Preclinical
Structure Type MOL
InChI Key DLPSRMHYLNFVTE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

284.4
MW (Da)
3.25
ALogP
4
HBA
1
HBD
33.1
PSA (Ų)
0.88
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 C17H24N4
MW 284.41
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.20

Literature References

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

Data from ChEMBL 36 via Core Engine