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Compound Detail

CHEMBL3991463

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CNC(=O)COc1cc(C(=N)N)ccc1CNC(=O)c1cc(Cl)cc(N(Cc2ccccc2)S(C)(=O)=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3991463
Phase Preclinical
Structure Type MOL
InChI Key CEHKMYBIZMIUPX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

558.1
MW (Da)
2.65
ALogP
6
HBA
4
HBD
154.7
PSA (Ų)
0.21
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28ClN5O5S
MW 558.06
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -1.65

Data from ChEMBL 36 via Core Engine