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Compound Detail

CHEMBL5568358

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Cl.Cl.NCCNc1c2c(c(NCCN)c3[nH]nnc13)C(=O)c1ccccc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5568358
Phase Preclinical
Structure Type MOL
InChI Key MMHVQNACRIJMEX-UHFFFAOYSA-N
Parent Compound CHEMBL6069646
Active Moiety CHEMBL6069646
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
0.47
ALogP
8
HBA
5
HBD
151.8
PSA (Ų)
0.31
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21Cl2N7O2
MW 438.32
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.34

Literature References

PubMed DOI Target Context # Activities
38387333 10.1016/j.ejmech.2024.116222 quadruplex DNA 6
38387333 10.1016/j.ejmech.2024.116222 ADMET 3
38387333 10.1016/j.ejmech.2024.116222 K562 1
38387333 10.1016/j.ejmech.2024.116222 HCT-116 1
38387333 10.1016/j.ejmech.2024.116222 MDA-MB-231 1
38387333 10.1016/j.ejmech.2024.116222 Unchecked 1

Data from ChEMBL 36 via Core Engine