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Compound Detail

CHEMBL1963184

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Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CC[N+](C)(CCCCC[N+](C)(C)C)CC5)CCOCC4)c3Cl)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1963184
Phase Preclinical
Structure Type MOL
InChI Key XOAILEHFAIIFAK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

750.8
MW (Da)
5.73
ALogP
6
HBA
1
HBD
97.8
PSA (Ų)
0.18
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H53Cl2N5O5S+2
MW 750.83
Aromatic Rings 3
Heavy Atoms 50
NP-Likeness -0.82

Data from ChEMBL 36 via Core Engine