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Compound Detail

CHEMBL440702

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CN1CC=C(c2ccc(Cl)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL440702
Phase Preclinical
Structure Type MOL
InChI Key NEPOYLVMRQRLAT-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names

Molecular Properties

207.7
MW (Da)
3.06
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14ClN
MW 207.70
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.49

Activity Summary

IC50 2 meas.

Pharmacokinetic Data

Parameter Value Units Species
T1/2 1.005 hr Homo sapiens

Literature References

PubMed DOI Target Context # Activities
8809158 10.1021/jm9603882 Amine oxidase [flavin-containing] B 6
3879267 10.1021/np50042a002 Amine oxidase [flavin-containing] B 3
3871859 10.1021/jm00381a009 Dihydropteridine reductase 2
8411009 10.1021/jm00072a012 Monoamine oxidase 1

Data from ChEMBL 36 via Core Engine