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Compound Detail

CHEMBL5555117

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Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccc(O)c3)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5555117
Phase Preclinical
Structure Type MOL
InChI Key AQHURQQAPNZHNR-RGVLZGJSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
3.32
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N3O2
MW 319.36
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.47

Literature References

PubMed DOI Target Context # Activities
38795517 10.1016/j.ejmech.2024.116524 U-266 1
38795517 10.1016/j.ejmech.2024.116524 U-937 1
38795517 10.1016/j.ejmech.2024.116524 K562 1
38795517 10.1016/j.ejmech.2024.116524 OCI-AML2 1

Data from ChEMBL 36 via Core Engine