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Compound Detail

CHEMBL5809733

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CC(C)(C)C=C(C#N)C(=O)N[C@@H]1CCc2c(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc3n2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5809733
Phase Preclinical
Structure Type MOL
InChI Key MRDAVKFXYNGTRO-OAQYLSRUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

506.6
MW (Da)
5.40
ALogP
7
HBA
2
HBD
118.8
PSA (Ų)
0.28
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H30N6O2
MW 506.61
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.65

Data from ChEMBL 36 via Core Engine