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Compound Detail

CHEMBL1622468

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COC(=O)c1ccc2c(c1)C(C)(C)C(/C=C/c1ccccc1O)=[N+]2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1622468
Phase Preclinical
Structure Type MOL
InChI Key CRZMPBDMWJWPBA-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
3.90
ALogP
3
HBA
1
HBD
49.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22NO3+
MW 336.41
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.32

Data from ChEMBL 36 via Core Engine