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Compound Detail

CHEMBL4117497

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CN1C2CCC1c1c(sc(NC(=O)Nc3ccc(Cl)cc3)c1C(N)=O)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117497
Phase Preclinical
Structure Type MOL
InChI Key DAHGONXBHYVOPI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

390.9
MW (Da)
3.84
ALogP
4
HBA
3
HBD
87.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19ClN4O2S
MW 390.90
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.41

Data from ChEMBL 36 via Core Engine