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Compound Detail

CHEMBL4225916

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O=[N+]([O-])c1cnc(Cl)nc1NCCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4225916
Phase Preclinical
Structure Type MOL
InChI Key GQTIKRQUQHDAQQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

278.7
MW (Da)
2.69
ALogP
5
HBA
1
HBD
81.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11ClN4O2
MW 278.70
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.47

Literature References

PubMed DOI Target Context # Activities
29576270 10.1016/j.bmc.2018.03.024 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 1

Data from ChEMBL 36 via Core Engine