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Compound Detail

CHEMBL2068780

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COc1cccc2c1CCN(CCCc1c[nH]c3ccc(I)cc13)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2068780
Phase Preclinical
Structure Type MOL
InChI Key BZXPKSLKLWOLEJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

446.3
MW (Da)
4.77
ALogP
2
HBA
1
HBD
28.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23IN2O
MW 446.33
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.92

Data from ChEMBL 36 via Core Engine