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Compound Detail

CHEMBL366377

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CN1CCc2cccc3c2C(CN3)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL366377
Phase Preclinical
Structure Type MOL
InChI Key JJELBIARFJVXTD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

188.3
MW (Da)
1.68
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H16N2
MW 188.27
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.29

Literature References

PubMed DOI Target Context # Activities
9871525 10.1016/s0960-894x(98)00138-3 D(1A) dopamine receptor 1
9871525 10.1016/s0960-894x(98)00138-3 D(2) dopamine receptor 1
9871525 10.1016/s0960-894x(98)00138-3 Unchecked 1
9871525 10.1016/s0960-894x(98)00138-3 Serotonin 2 (5-HT2) receptor 1
9871525 10.1016/s0960-894x(98)00138-3 Adrenergic receptor alpha-1 1
9871525 10.1016/s0960-894x(98)00138-3 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine