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Compound Detail

CHEMBL130965

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Cc1nn(CCn2ccnc2)c(=O)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL130965
Phase Preclinical
Structure Type MOL
InChI Key IFGNERIOPSPFKV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

254.3
MW (Da)
1.60
ALogP
5
HBA
0
HBD
52.7
PSA (Ų)
0.71
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 C14H14N4O
MW 254.29
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -2.04

Literature References

PubMed DOI Target Context # Activities
8258827 10.1021/jm00077a008 Thromboxane-A synthase 1
8258827 10.1021/jm00077a008 Cavia porcellus 1
8258827 10.1021/jm00077a008 No relevant target 1

Data from ChEMBL 36 via Core Engine