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Compound Detail

CHEMBL3326258

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CC(C)Cn1c(=O)n(C)c(=O)c2[nH]c(=O)c(Cc3cccc4ccccc34)nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3326258
Phase Preclinical
Structure Type MOL
InChI Key BTUSRASQSIYIRD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

390.4
MW (Da)
2.18
ALogP
6
HBA
1
HBD
89.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N4O3
MW 390.44
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.88

Literature References

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

Data from ChEMBL 36 via Core Engine