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Compound Detail

CHEMBL5420266

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N#C/N=C(\NCCCCCCC(=O)N(CCCN1CCOCC1)Cc1ccco1)N1Cc2ccccc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5420266
Phase Preclinical
Structure Type MOL
InChI Key IRLJHHIOMRNXRV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

520.7
MW (Da)
3.72
ALogP
6
HBA
1
HBD
97.3
PSA (Ų)
0.19
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H40N6O3
MW 520.68
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -1.50

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