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Compound Detail

CHEMBL5847444

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COc1c(C(C)n2nc(C)c3c(N)ncnc32)cc(Cl)c(C#N)c1C1CN(S(C)(=O)=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5847444
Phase Preclinical
Structure Type MOL
InChI Key OWQMJTFVVTZJKY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

476.0
MW (Da)
2.22
ALogP
9
HBA
1
HBD
140.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22ClN7O3S
MW 475.96
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.12

Data from ChEMBL 36 via Core Engine