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Compound Detail

CHEMBL373806

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CCCCCCCCCCCCOc1cccc(C2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL373806
Phase Preclinical
Structure Type MOL
InChI Key VTGIRCOZXQCYQR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

475.7
MW (Da)
7.27
ALogP
5
HBA
1
HBD
71.5
PSA (Ų)
0.29
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H41N3O2
MW 475.68
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
15566300 10.1021/jm049640t T47D 1
15566300 10.1021/jm049640t NCI-H1299 1
15566300 10.1021/jm049640t DLD-1 1

Data from ChEMBL 36 via Core Engine