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Compound Detail

CHEMBL309991

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O=C1/C(=C\c2cc(Br)c(O)c(Br)c2)C(=O)c2cc([N+](=O)[O-])ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL309991
Phase Preclinical
Structure Type MOL
InChI Key MXMYPBSERJJAEX-QDEBKDIKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

453.0
MW (Da)
4.29
ALogP
5
HBA
1
HBD
97.5
PSA (Ų)
0.32
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 C16H7Br2NO5
MW 453.04
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.42

Literature References

PubMed DOI Target Context # Activities
9873567 10.1016/s0960-894x(98)00445-4 Tyrosine-protein kinase Lck 1

Data from ChEMBL 36 via Core Engine