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Compound Detail

CHEMBL100105

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Cc1ccc(/C=C2\CN(C)Cc3c2nc(O)c(C#N)c3-c2ccc(C)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL100105
Phase Preclinical
Structure Type MOL
InChI Key DHMQEKDDHWPHCO-UDWIEESQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

381.5
MW (Da)
4.93
ALogP
4
HBA
1
HBD
60.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23N3O
MW 381.48
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.62

Literature References

PubMed DOI Target Context # Activities
10956199 10.1021/jm000038m MT4 1
10956199 10.1021/jm000038m Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine