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Compound Detail

CHEMBL3990889

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CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)cc1C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3990889
Phase Preclinical
Structure Type MOL
InChI Key WGUXQKIWMYYPQI-GOSISDBHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
4.01
ALogP
6
HBA
1
HBD
98.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N4O2
MW 360.42
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.01

Data from ChEMBL 36 via Core Engine