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Compound Detail

CHEMBL135991

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Cc1cn(CC#CCO)c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL135991
Phase Preclinical
Structure Type MOL
InChI Key ULQDIMDNAOYUPA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

194.2
MW (Da)
-1.16
ALogP
4
HBA
2
HBD
75.1
PSA (Ų)
0.55
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 C9H10N2O3
MW 194.19
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.50

Literature References

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

Data from ChEMBL 36 via Core Engine