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Compound Detail

CHEMBL6040449

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COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C(C)(C)CNC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6040449
Phase Preclinical
Structure Type MOL
InChI Key UTLBQFJPNJIMAQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

516.1
MW (Da)
5.19
ALogP
8
HBA
3
HBD
105.2
PSA (Ų)
0.39
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30ClN5O3S
MW 516.07
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.93

Data from ChEMBL 36 via Core Engine