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Compound Detail

CHEMBL1189498

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COc1cccc(OC)c1C/N=C(\N)c1cc2cc(F)ccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189498
Phase Preclinical
Structure Type MOL
InChI Key ORNVTLQUTGQFPT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
3.23
ALogP
3
HBA
2
HBD
72.6
PSA (Ų)
0.56
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 C18H18FN3O2
MW 327.36
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.74

Data from ChEMBL 36 via Core Engine