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Compound Detail

CHEMBL1183161

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CC1c2cc(OC(=O)N(C)C)ccc2NC1[n+]1cccc(C(N)=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183161
Phase Preclinical
Structure Type MOL
InChI Key IUEBSZQYGRNNDN-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
1.86
ALogP
4
HBA
2
HBD
88.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21N4O3+
MW 341.39
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.10

Data from ChEMBL 36 via Core Engine