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Compound Detail

CHEMBL536489

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Cl.O=[N+]([O-])c1ccc(NCC(O)CN2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL536489
Phase Preclinical
Structure Type MOL
InChI Key JDFAXDSBFMMQNA-UHFFFAOYSA-N
Parent Compound CHEMBL1188462
Active Moiety CHEMBL1188462
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

524.6
MW (Da)
4.88
ALogP
6
HBA
2
HBD
81.9
PSA (Ų)
0.26
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H35ClF2N4O3
MW 561.07
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -1.10

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
15261288 10.1016/j.bmcl.2004.05.091 Oryctolagus cuniculus 1

Data from ChEMBL 36 via Core Engine