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Compound Detail

CHEMBL4777267

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c1ccc(-c2nccc3c4ccccc4n(CC4CC4)c23)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4777267
Phase Preclinical
Structure Type MOL
InChI Key LHRZXCPICXEOAV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

299.4
MW (Da)
4.66
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17N3
MW 299.38
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -0.51

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