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Compound Detail

CHEMBL1567652

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COc1cc2c(cc1C1C(C#N)=C(N)OC3=C1C(=O)CC(C)(C)C3)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1567652
Phase Preclinical
Structure Type MOL
InChI Key UPKPRMWZTTVUFR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
2.87
ALogP
7
HBA
1
HBD
103.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N2O5
MW 368.39
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.48

Data from ChEMBL 36 via Core Engine