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Compound Detail

CHEMBL4779083

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Cc1ccc2c(c1)N=C(C1=C[C@H](C)N(C)CC1)c1cc(C)ccc1N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4779083
Phase Preclinical
Structure Type MOL
InChI Key HQOZRPUAUJQEAR-INIZCTEOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

331.5
MW (Da)
5.13
ALogP
3
HBA
1
HBD
27.6
PSA (Ų)
0.78
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25N3
MW 331.46
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.05

Literature References

PubMed DOI Target Context # Activities
32976928 10.1016/j.bmcl.2020.127563 Voltage-gated inwardly rectifying potassium channel KCNH2 1
32976928 10.1016/j.bmcl.2020.127563 5-hydroxytryptamine receptor 2A 1
32976928 10.1016/j.bmcl.2020.127563 ADMET 1
32976928 10.1016/j.bmcl.2020.127563 D(2) dopamine receptor 1
32976928 10.1016/j.bmcl.2020.127563 D(1A) dopamine receptor 1

Data from ChEMBL 36 via Core Engine