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Compound Detail

CHEMBL1195939

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CSCC[C@H](NC(=O)c1ccc(NC(=O)c2cccnc2)cc1-c1ccccc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1195939
Phase Preclinical
Structure Type MOL
InChI Key JDVQRYMXNIEHTK-NRFANRHFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

449.5
MW (Da)
3.94
ALogP
5
HBA
3
HBD
108.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23N3O4S
MW 449.53
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.16

Data from ChEMBL 36 via Core Engine