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Compound Detail

CHEMBL5990963

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

Basic Information

ChEMBL ID CHEMBL5990963
Phase Preclinical
Structure Type MOL
InChI Key SWUXBCAWGABMGD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

504.0
MW (Da)
3.00
ALogP
9
HBA
1
HBD
140.0
PSA (Ų)
0.52
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26ClN7O3S
MW 504.02
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.32

Data from ChEMBL 36 via Core Engine