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Compound Detail

CHEMBL529394

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COc1cc(CNCCCNc2nc(=O)c3sccc3[nH]2)c2[nH]cc(Cl)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL529394
Phase Preclinical
Structure Type MOL
InChI Key BJLQAQYMYCFIIM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

417.9
MW (Da)
3.72
ALogP
6
HBA
4
HBD
94.8
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20ClN5O2S
MW 417.92
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.09

Data from ChEMBL 36 via Core Engine