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Compound Detail

CHEMBL2171793

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CN1c2ccc(O)cc2C(=O)N2CCc3c([nH]c4ccccc34)C21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2171793
Phase Preclinical
Structure Type MOL
InChI Key HJMRPVURQRIKJZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
3.02
ALogP
3
HBA
2
HBD
59.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N3O2
MW 319.36
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 0.53

Literature References

PubMed DOI Target Context # Activities
24819955 10.1016/j.ejmech.2014.05.002 Acetylcholinesterase 2
22867019 10.1021/jm300605m DNA topoisomerase 2-alpha 1
22867019 10.1021/jm300605m DNA topoisomerase 1 1
22867019 10.1021/jm300605m HCT-116 1
22867019 10.1021/jm300605m MDA-MB-435 1
22867019 10.1021/jm300605m A549 1
24819955 10.1016/j.ejmech.2014.05.002 Cholinesterase 1

Data from ChEMBL 36 via Core Engine