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Compound Detail

CHEMBL1205903

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CC[C@@](O)(C(=O)O)c1cc2n(c(=O)c1CO)Cc1cc3ccccc3nc1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205903
Phase Preclinical
Structure Type MOL
InChI Key SARNOWGPKQIWFT-FQEVSTJZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
1.60
ALogP
6
HBA
3
HBD
112.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N2O5
MW 366.37
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness 0.47

Literature References

PubMed DOI Target Context # Activities
27156772 10.1016/j.bmcl.2016.04.056 No relevant target 3

Data from ChEMBL 36 via Core Engine