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Compound Detail

CHEMBL1901426

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COc1cc2c(cc1OC)-c1cc(NCc3ccc(F)cc3)nc(=O)n1CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1901426
Phase Preclinical
Structure Type MOL
InChI Key SQZQZEAWPWCOCU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

381.4
MW (Da)
3.23
ALogP
6
HBA
1
HBD
65.4
PSA (Ų)
0.74
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 C21H20FN3O3
MW 381.41
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.76

Data from ChEMBL 36 via Core Engine