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Compound Detail

CHEMBL4116404

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C[N+]1(CC2CCCC2)CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(N)=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116404
Phase Preclinical
Structure Type MOL
InChI Key XZRNYBOYEYCGQX-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

448.0
MW (Da)
4.84
ALogP
3
HBA
3
HBD
84.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28ClN4O2S+
MW 448.01
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.16

Data from ChEMBL 36 via Core Engine