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Compound Detail

CHEMBL4597058

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C=CC(=O)Nc1cccc(S(=O)(=O)N2CCC(NC(=O)c3n[nH]cc3NC(=O)c3c(Cl)cccc3OC)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4597058
Phase Preclinical
Structure Type MOL
InChI Key TTXFWLWLVPCKRX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

587.1
MW (Da)
3.03
ALogP
7
HBA
4
HBD
162.6
PSA (Ų)
0.28
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27ClN6O6S
MW 587.06
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -1.76

Data from ChEMBL 36 via Core Engine