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Compound Detail

CHEMBL5407190

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COc1ccccc1-c1cnc(N2CCN(CCCCc3c[nH]c4ccc(C#N)cc34)CC2)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5407190
Phase Preclinical
Structure Type MOL
InChI Key WQVCWHRRWQSKSD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

466.6
MW (Da)
4.65
ALogP
6
HBA
1
HBD
81.1
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H30N6O
MW 466.59
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.18

Literature References

PubMed DOI Target Context # Activities
36598095 10.1021/acs.jmedchem.2c01339 Sodium-dependent serotonin transporter 1

Data from ChEMBL 36 via Core Engine