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Compound Detail

CHEMBL2021707

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CC[C@@H](CNC(=O)c1nc(Cl)c(N)nc1N)[N+](C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2021707
Phase Preclinical
Structure Type MOL
InChI Key CZOBQZSQCIQAQN-ZETCQYMHSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

301.8
MW (Da)
0.51
ALogP
5
HBA
3
HBD
106.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H22ClN6O+
MW 301.80
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.47

Data from ChEMBL 36 via Core Engine