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Compound Detail

CHEMBL3326262

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CC(C)Cn1c(=O)n(C)c(=O)c2nc(C(=O)NCCCO)c(Cc3cccc4ccccc34)nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3326262
Phase Preclinical
Structure Type MOL
InChI Key MMGVJHFJTYGWHJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

475.6
MW (Da)
2.00
ALogP
8
HBA
2
HBD
119.1
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29N5O4
MW 475.55
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.88

Literature References

PubMed DOI Target Context # Activities
25068893 10.1021/jm500640x Raji 1
25068893 10.1021/jm500640x Monocarboxylate transporter 1 1

Data from ChEMBL 36 via Core Engine