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Compound Detail

CHEMBL130949

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CCCCCCCCCCCCCCc1nc(O)nc(O)c1CC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL130949
Phase Preclinical
Structure Type MOL
InChI Key UDLTXYCBVLSIIU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.5
MW (Da)
5.69
ALogP
4
HBA
2
HBD
66.2
PSA (Ų)
0.43
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H36N2O2
MW 336.52
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.12

Literature References

PubMed DOI Target Context # Activities
11689086 10.1021/jm010947r CCRF-CEM 2

Data from ChEMBL 36 via Core Engine