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Compound Detail

CHEMBL5408283

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N#C/N=C(\NCCCCCCCC(=O)NCc1ccco1)Nc1ccncc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5408283
Phase Preclinical
Structure Type MOL
InChI Key WPRSQXOBGVDAKR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
3.17
ALogP
5
HBA
3
HBD
115.3
PSA (Ų)
0.24
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26N6O2
MW 382.47
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.45

Literature References

PubMed DOI Target Context # Activities
36787658 10.1016/j.ejmech.2023.115170 MIA PaCa-2 1

Data from ChEMBL 36 via Core Engine