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Compound Detail

CHEMBL5405758

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N#C/N=C(\NCCCCCCC(=O)N(Cc1ccc(Cl)cc1)Cc1ccco1)N1Cc2ccccc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5405758
Phase Preclinical
Structure Type MOL
InChI Key YHSLIVWVXFFRKQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

518.1
MW (Da)
5.85
ALogP
4
HBA
1
HBD
84.9
PSA (Ų)
0.15
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H32ClN5O2
MW 518.06
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -1.33

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