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Compound Detail

CHEMBL1962661

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COc1ccc(CCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1962661
Phase Preclinical
Structure Type MOL
InChI Key UIGQECDMPIHSSA-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

407.9
MW (Da)
1.74
ALogP
6
HBA
3
HBD
116.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H28ClN6O2+
MW 407.93
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.41

Data from ChEMBL 36 via Core Engine