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Compound Detail

CHEMBL513094

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Cn1ncc2c(Nc3ccccc3)nc(NCCCO)nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL513094
Phase Preclinical
Structure Type MOL
InChI Key ZHKPYGMYALRHOA-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

298.4
MW (Da)
1.90
ALogP
7
HBA
3
HBD
87.9
PSA (Ų)
0.60
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 C15H18N6O
MW 298.35
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.73

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
19185501 10.1016/j.bmc.2009.01.004 Unchecked 1
19185501 10.1016/j.bmc.2009.01.004 Beta-ketoacyl-[acyl-carrier-protein] synthase III 1

Data from ChEMBL 36 via Core Engine