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Compound Detail

CHEMBL431439

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CCCN1Cc2cccc3nnn(c23)CC1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL431439
Phase Preclinical
Structure Type MOL
InChI Key YYXDPSDTVPZYQQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

230.3
MW (Da)
2.05
ALogP
4
HBA
0
HBD
34.0
PSA (Ų)
0.79
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 C13H18N4
MW 230.31
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.13

Literature References

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

Data from ChEMBL 36 via Core Engine