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Compound Detail

CHEMBL336764

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Nc1ccn(CC#CCO)c(=O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL336764
Phase Preclinical
Structure Type MOL
InChI Key IWKHNPUWJPHSEH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

179.2
MW (Da)
-1.18
ALogP
5
HBA
2
HBD
81.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H9N3O2
MW 179.18
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.17

Literature References

PubMed DOI Target Context # Activities
1992143 10.1021/jm00105a064 L1210 1

Data from ChEMBL 36 via Core Engine