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Compound Detail

CHEMBL2220119

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CC(C)=CCn1c(N2CCC[C@@H](N)C2)nc2c3cc(C(=O)O)ccc3n(C)c(=O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2220119
Phase Preclinical
Structure Type MOL
InChI Key DVLSCUFBZDTCRX-OAHLLOKOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

409.5
MW (Da)
2.48
ALogP
7
HBA
2
HBD
106.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27N5O3
MW 409.49
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.43

Data from ChEMBL 36 via Core Engine