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Compound Detail

CHEMBL5590460

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Nc1ncnc2c1c(-c1coc3ccccc13)cn2[C@H]1CC[C@@H](N)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5590460
Phase Preclinical
Structure Type MOL
InChI Key POLWQLMOUPYFBY-BETUJISGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
3.87
ALogP
6
HBA
2
HBD
95.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21N5O
MW 347.42
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.12

Literature References

PubMed DOI Target Context # Activities
38117948 10.1021/acs.jmedchem.3c01039 MDA-MB-231 3
38117948 10.1021/acs.jmedchem.3c01039 HeLa 3

Data from ChEMBL 36 via Core Engine