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Compound Detail

CHEMBL149987

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Cc1ccc2c(c1)C(NCCc1ccccn1)=Nc1cccnc1N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL149987
Phase Preclinical
Structure Type MOL
InChI Key OTWVRWHEDUJUNV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
3.75
ALogP
5
HBA
2
HBD
62.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19N5
MW 329.41
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.02

Literature References

PubMed DOI Target Context # Activities
12408724 10.1021/jm0104825 D(4) dopamine receptor 1
12408724 10.1021/jm0104825 5-hydroxytryptamine receptor 2A 1
12408724 10.1021/jm0104825 Adrenergic receptor alpha-1 1
12408724 10.1021/jm0104825 D(2) dopamine receptor 1
12408724 10.1021/jm0104825 Dopamine receptors; D2 & D4 1
12408724 10.1021/jm0104825 Unchecked 1

Data from ChEMBL 36 via Core Engine