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Compound Detail

CHEMBL430191

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CCOC(=O)CCC(=O)Nc1cc2c3c(cccc3c1)C(=O)N(CCN(C)C)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL430191
Phase Preclinical
Structure Type MOL
InChI Key LAWRNWXOEVHERO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
2.28
ALogP
6
HBA
1
HBD
96.0
PSA (Ų)
0.53
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 C22H25N3O5
MW 411.46
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.15

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