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Compound Detail

CHEMBL5500155

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COc1cccc(-c2cc(F)c(NC(=O)C3=C(C(=O)NC#N)CCC3)c(F)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5500155
Phase Preclinical
Structure Type MOL
InChI Key DJONDDPYRHMQEM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

397.4
MW (Da)
3.66
ALogP
4
HBA
2
HBD
91.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17F2N3O3
MW 397.38
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.91

Data from ChEMBL 36 via Core Engine