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Compound Detail

CHEMBL6048985

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CCOc1c(C(C)n2nc(C)c3c(N)ncnc32)cc(Cl)c(C#N)c1C1CN(C(C)=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6048985
Phase Preclinical
Structure Type MOL
InChI Key KZHQTNPGNQFKMC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

453.9
MW (Da)
3.20
ALogP
8
HBA
1
HBD
123.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24ClN7O2
MW 453.93
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.05

Data from ChEMBL 36 via Core Engine