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Compound Detail

CHEMBL601003

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O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cccc(Oc3cc(Cl)cc(Cl)c3)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL601003
Phase Preclinical
Structure Type MOL
InChI Key SKBPJYZOLUWFRB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

502.4
MW (Da)
6.01
ALogP
6
HBA
0
HBD
85.2
PSA (Ų)
0.30
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21Cl2N3O5
MW 502.35
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.48

Literature References

PubMed DOI Target Context # Activities
20099888 10.1021/jm9016976 Patatin-like phospholipase domain-containing protein 6 2
20099888 10.1021/jm9016976 Fatty-acid amide hydrolase 1 1
20099888 10.1021/jm9016976 Monoglyceride lipase 1
20099888 10.1021/jm9016976 Monoacylglycerol lipase ABHD6 1

Data from ChEMBL 36 via Core Engine