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Compound Detail

CHEMBL4115980

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CC(C)N1CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(N)=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4115980
Phase Preclinical
Structure Type MOL
InChI Key PIIVYWGOUOVALP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

392.9
MW (Da)
3.91
ALogP
4
HBA
3
HBD
87.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21ClN4O2S
MW 392.91
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -2.16

Data from ChEMBL 36 via Core Engine