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Compound Detail

CHEMBL4803787

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CC/C(=C(/c1ccc(O)cc1)c1ccc(/C=C/C(=O)NCCN)cc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4803787
Phase Preclinical
Structure Type MOL
InChI Key KJKVIJYJTOEVGA-WSQVVZGUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
4.85
ALogP
3
HBA
3
HBD
75.3
PSA (Ų)
0.37
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28N2O2
MW 412.53
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 0.14

Data from ChEMBL 36 via Core Engine