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Compound Detail

CHEMBL1183721

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CCN(CC)C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(C)c2)N=C(c2cccc[n+]2C)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183721
Phase Preclinical
Structure Type MOL
InChI Key VIVLXTDPYQSRTM-MHZLTWQESA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

513.6
MW (Da)
3.02
ALogP
4
HBA
2
HBD
98.0
PSA (Ų)
0.48
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H33N6O3+
MW 513.62
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -1.07

Data from ChEMBL 36 via Core Engine