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Compound Detail

CHEMBL4462872

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Cn1cc2ccc(N3CCN(c4cncc5ccccc45)CC3)c(F)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4462872
Phase Preclinical
Structure Type MOL
InChI Key HAUUPUZCHBMRHQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
3.59
ALogP
5
HBA
0
HBD
37.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20FN5
MW 361.42
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.09

Literature References

PubMed DOI Target Context # Activities
32071678 10.1021/acsmedchemlett.9b00480 ADMET 5
32071678 10.1021/acsmedchemlett.9b00480 Unchecked 1

Data from ChEMBL 36 via Core Engine