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Compound Detail

CHEMBL156752

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CN(C)c1cccc2c(S(=O)(=O)NCCCCN)cccc12.Cl.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL156752
Phase Preclinical
Structure Type MOL
InChI Key OZIJWPOBYGELEX-UHFFFAOYSA-N
Parent Compound CHEMBL1181129
Active Moiety CHEMBL1181129
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

321.4
MW (Da)
1.92
ALogP
4
HBA
2
HBD
75.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H25Cl2N3O2S
MW 394.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.20

Literature References

PubMed DOI Target Context # Activities
9871574 10.1016/s0960-894x(98)00086-9 L1210 2
9871574 10.1016/s0960-894x(98)00086-9 Amine oxidase [copper-containing] 3 1

Data from ChEMBL 36 via Core Engine