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Compound Detail

CHEMBL2326735

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O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1OCCF
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2326735
Phase Preclinical
Structure Type MOL
InChI Key FXAAPYHLMDKJNT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

373.2
MW (Da)
4.50
ALogP
4
HBA
1
HBD
81.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11Cl2FN2O4
MW 373.17
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -2.05

Literature References

PubMed DOI Target Context # Activities
23459613 10.1021/ml3003082 PANC-1 1
23459613 10.1021/ml3003082 ASPC1 1
23459613 10.1021/ml3003082 MDA-MB-231 1
23459613 10.1021/ml3003082 MCF7 1

Data from ChEMBL 36 via Core Engine