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Compound Detail

CHEMBL3719270

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COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#Cc1cncn1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3719270
Phase Preclinical
Structure Type MOL
InChI Key WXOXWOWHOGEOHW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
2.70
ALogP
8
HBA
2
HBD
114.1
PSA (Ų)
0.67
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 C20H22N6O2
MW 378.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.23

Data from ChEMBL 36 via Core Engine