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Compound Detail

CHEMBL5409200

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Clc1cccc(N2CCN(c3ncnc4ccccc34)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5409200
Phase Preclinical
Structure Type MOL
InChI Key WUUMRAVPSOGQCP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

324.8
MW (Da)
3.61
ALogP
4
HBA
0
HBD
32.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17ClN4
MW 324.81
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.71

Literature References

PubMed DOI Target Context # Activities
36001933 10.1016/j.ejmech.2022.114638 HT-1080 1
36001933 10.1016/j.ejmech.2022.114638 RD 1
36001933 10.1016/j.ejmech.2022.114638 GCT 1
36001933 10.1016/j.ejmech.2022.114638 MCF7 1

Data from ChEMBL 36 via Core Engine