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Compound Detail

CHEMBL4085911

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Cn1ccc2cc(CN3CCC(N(Cc4ccccc4)C(=O)Nc4cc(F)cc(C(F)(F)F)c4)CC3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4085911
Phase Preclinical
Structure Type MOL
InChI Key CIXQTOCJDQFIDM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

538.6
MW (Da)
7.03
ALogP
3
HBA
1
HBD
40.5
PSA (Ų)
0.27
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H30F4N4O
MW 538.59
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -1.89

Literature References

PubMed DOI Target Context # Activities
29547693 10.1021/acs.jmedchem.7b01282 DCN1-like protein 1 1

Data from ChEMBL 36 via Core Engine