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Compound Detail

CHEMBL5440228

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N#C/N=C(\NCCCCCCC(=O)N(Cc1ccco1)C1CCCC1)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5440228
Phase Preclinical
Structure Type MOL
InChI Key APPMWPDYAHGEFN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

435.6
MW (Da)
5.04
ALogP
4
HBA
2
HBD
93.7
PSA (Ų)
0.22
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H33N5O2
MW 435.57
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.55

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