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Compound Detail

CHEMBL5562282

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COc1ccc(-c2nc(C(=O)NC(=N)N)c(N)nc2N(C)CCO)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5562282
Phase Preclinical
Structure Type MOL
InChI Key VSKRRUMPCBCUPX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
-0.21
ALogP
8
HBA
5
HBD
163.5
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H21N7O3
MW 359.39
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.61

Literature References

PubMed DOI Target Context # Activities
38246115 10.1016/j.bmc.2024.117603 Sodium/hydrogen exchanger 5 2
38246115 10.1016/j.bmc.2024.117603 Sodium/hydrogen exchanger 1 1

Data from ChEMBL 36 via Core Engine