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Compound Detail

CHEMBL4596719

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Cn1cc(S(=O)(=O)N2CCN(C3(CNC(=O)c4ccc(Cl)cc4Cl)CCCCC3)CC2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596719
Phase Preclinical
Structure Type MOL
InChI Key UJIOTSCSZYIISN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

514.5
MW (Da)
3.17
ALogP
6
HBA
1
HBD
87.5
PSA (Ų)
0.64
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29Cl2N5O3S
MW 514.48
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -2.15

Data from ChEMBL 36 via Core Engine