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Compound Detail

CHEMBL3310153

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Nc1nc2c3c(NCCCO)cc(F)cc3nc(Cc3ccc4c(c3)OCO4)n2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3310153
Phase Preclinical
Structure Type MOL
InChI Key XSJLFCRREWZEQR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

410.4
MW (Da)
2.11
ALogP
9
HBA
3
HBD
119.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19FN6O3
MW 410.41
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.10

Literature References

PubMed DOI Target Context # Activities
24980703 10.1016/j.bmc.2014.05.056 A2780 1
24980703 10.1016/j.bmc.2014.05.056 No relevant target 1
24980703 10.1016/j.bmc.2014.05.056 Heat shock protein HSP 90-beta 1

Data from ChEMBL 36 via Core Engine