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Compound Detail

CHEMBL2391220

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CN(C)c1ccc(/C=C2/CN(C(=O)CC(=O)N3C/C(=C\c4ccc(N(C)C)cc4)C(=O)/C(=C/c4ccc(N(C)C)cc4)C3)C/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2391220
Phase Preclinical
Structure Type MOL
InChI Key WOSUQNBTBKQTIG-YSYLBJHLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

791.0
MW (Da)
6.80
ALogP
8
HBA
0
HBD
87.7
PSA (Ų)
0.13
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C49H54N6O4
MW 791.01
Aromatic Rings 4
Heavy Atoms 59
NP-Likeness -0.23

Literature References

PubMed DOI Target Context # Activities
23644215 10.1016/j.ejmech.2013.03.055 HT-29 2
23644215 10.1016/j.ejmech.2013.03.055 HCT-116 2

Data from ChEMBL 36 via Core Engine