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Compound Detail

CHEMBL3309996

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NCc1ccc2nc(Cc3ccc4c(c3)OCO4)n3nc(N)nc3c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3309996
Phase Preclinical
Structure Type MOL
InChI Key KBAITLSJPIUWAL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
1.64
ALogP
8
HBA
2
HBD
113.6
PSA (Ų)
0.58
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 C18H16N6O2
MW 348.37
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.89

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