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Compound Detail

CHEMBL4117747

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

Basic Information

ChEMBL ID CHEMBL4117747
Phase Preclinical
Structure Type MOL
InChI Key YKRFNTSLFFLMBP-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

508.1
MW (Da)
4.77
ALogP
5
HBA
3
HBD
110.5
PSA (Ų)
0.37
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H32ClN4O4S+
MW 508.06
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -1.07

Data from ChEMBL 36 via Core Engine