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Compound Detail

CHEMBL1323953

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O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2nc(O)c3ccc(Cl)cc3n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1323953
Phase Preclinical
Structure Type MOL
InChI Key BPKWPDFLLYZOES-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

453.4
MW (Da)
3.15
ALogP
6
HBA
1
HBD
86.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18Cl2N4O3S
MW 453.35
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -2.04

Data from ChEMBL 36 via Core Engine