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Compound Detail

CHEMBL4760810

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c1ccc(OCCn2c3ccccc3c3ccnc(-c4ccccn4)c32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4760810
Phase Preclinical
Structure Type MOL
InChI Key CPMRZYYDMSAXSW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
5.33
ALogP
4
HBA
0
HBD
39.9
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H19N3O
MW 365.44
Aromatic Rings 5
Heavy Atoms 28
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
32794745 10.1021/acs.jmedchem.9b02047 Induced myeloid leukemia cell differentiation protein Mcl-1 3
32794745 10.1021/acs.jmedchem.9b02047 Unchecked 1
32794745 10.1021/acs.jmedchem.9b02047 L-363 1
32794745 10.1021/acs.jmedchem.9b02047 K562 1
32794745 10.1021/acs.jmedchem.9b02047 NCI-H929 1
32794745 10.1021/acs.jmedchem.9b02047 LP-1 1
32794745 10.1021/acs.jmedchem.9b02047 MM1.S 1
32794745 10.1021/acs.jmedchem.9b02047 KMS-12-PE 1

Data from ChEMBL 36 via Core Engine