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Compound Detail

CHEMBL5612344

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c1ccc2c(-c3[nH]nnc3-c3ccc4oc5ccccc5c4c3)ccnc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5612344
Phase Preclinical
Structure Type MOL
InChI Key CEDJXCSEDRHABW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
5.59
ALogP
4
HBA
1
HBD
67.6
PSA (Ų)
0.44
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H14N4O
MW 362.39
Aromatic Rings 6
Heavy Atoms 28
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
38901104 10.1016/j.ejmech.2024.116611 MGC-803 1
38901104 10.1016/j.ejmech.2024.116611 KYSE-30 1
38901104 10.1016/j.ejmech.2024.116611 HCT-116 1

Data from ChEMBL 36 via Core Engine