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Compound Detail

CHEMBL4536779

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Cc1cc(N(C)c2ccc3[nH]c4ccccc4c3c2)c2ccccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4536779
Phase Preclinical
Structure Type MOL
InChI Key VWWHVLUDCNDATM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
5.95
ALogP
2
HBA
1
HBD
31.9
PSA (Ų)
0.43
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19N3
MW 337.43
Aromatic Rings 5
Heavy Atoms 26
NP-Likeness -0.60

Literature References

PubMed DOI Target Context # Activities
30818177 10.1016/j.ejmech.2019.02.038 HCT-116 1
30818177 10.1016/j.ejmech.2019.02.038 Unchecked 1

Data from ChEMBL 36 via Core Engine