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Compound Detail

CHEMBL4594638

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COc1ccc(-n2cc(COc3ccc(/C=N/Nc4c5c(nc6ccccc46)CCCC5)cc3)nn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4594638
Phase Preclinical
Structure Type MOL
InChI Key QOCIGUHOSOHOPZ-FDAWAROLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

504.6
MW (Da)
5.73
ALogP
8
HBA
1
HBD
86.5
PSA (Ų)
0.21
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H28N6O2
MW 504.59
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -1.53

Data from ChEMBL 36 via Core Engine