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Compound Detail

CHEMBL102443

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O=C(CBr)c1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL102443
Phase Preclinical
Structure Type MOL
InChI Key DNPMOGQMEOPVNT-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

200.0
MW (Da)
1.66
ALogP
2
HBA
0
HBD
30.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H6BrNO
MW 200.03
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness -1.24

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
12372498 10.1016/s0960-894x(02)00681-9 Tyrosine-protein phosphatase non-receptor type 1 3
17258457 10.1016/j.bmcl.2007.01.012 NAD kinase 3

Data from ChEMBL 36 via Core Engine