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Compound Detail

CHEMBL3040180

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CO/N=C(/N)c1ccc(-c2cccc(-c3ccc(/C(N)=N\OC)cc3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040180
Phase Preclinical
Structure Type MOL
InChI Key MGNBUYWBFRXLKB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
3.55
ALogP
4
HBA
2
HBD
95.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N4O2
MW 374.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.44

Data from ChEMBL 36 via Core Engine