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Compound Detail

CHEMBL1322572

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Cc1sc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)n2C)c(C#N)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1322572
Phase Preclinical
Structure Type MOL
InChI Key XZKAHRMBFKDBMP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

448.0
MW (Da)
4.33
ALogP
8
HBA
1
HBD
92.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18ClN5O2S2
MW 447.97
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -2.95

Data from ChEMBL 36 via Core Engine