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Compound Detail

CHEMBL5822975

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COc1c(C(C)n2nc(C)c3c(N)ncnc32)cc(Cl)c(C#N)c1C1CNC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5822975
Phase Preclinical
Structure Type MOL
InChI Key PJXOQIHPWFBWNB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

397.9
MW (Da)
2.55
ALogP
8
HBA
2
HBD
114.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20ClN7O
MW 397.87
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.79

Data from ChEMBL 36 via Core Engine