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Compound Detail

CHEMBL4301158

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Cc1cc(C(=N)N)cc(C)c1OCCN(CCOc1c(C)cc(C(=N)N)cc1C)S(=O)(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301158
Phase Preclinical
Structure Type MOL
InChI Key RSPXJBIBYRGHSX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

537.7
MW (Da)
3.64
ALogP
6
HBA
4
HBD
155.6
PSA (Ų)
0.20
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H35N5O4S
MW 537.69
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -0.73

Data from ChEMBL 36 via Core Engine