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Compound Detail

CHEMBL244508

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COc1cc(/C=N\c2cc3c4c(cccc4c2)C(=O)N(CCN(C)C)C3=O)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL244508
Phase Preclinical
Structure Type MOL
InChI Key VDZBSIGVYPXNAG-QFEZKATASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

417.5
MW (Da)
3.46
ALogP
6
HBA
1
HBD
82.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23N3O4
MW 417.47
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
17658777 10.1021/jm070315q NON-PROTEIN TARGET 2
17658777 10.1021/jm070315q HCT-15 1
17658777 10.1021/jm070315q LoVo 1
17658777 10.1021/jm070315q A549 1
17658777 10.1021/jm070315q MCF7 1
17658777 10.1021/jm070315q Mus musculus 1
17658777 10.1021/jm070315q L1210 1

Data from ChEMBL 36 via Core Engine