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Compound Detail

CHEMBL1186807

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CCN(CCO)CCCCOc1ccc2c(-c3ccc(Br)cc3)nsc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186807
Phase Preclinical
Structure Type MOL
InChI Key XHOKJNHLSGAYJL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

449.4
MW (Da)
5.20
ALogP
5
HBA
1
HBD
45.6
PSA (Ų)
0.43
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25BrN2O2S
MW 449.41
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.31

Literature References

PubMed DOI Target Context # Activities
22122484 10.1021/jm201082a ADMET 1

Data from ChEMBL 36 via Core Engine