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Compound Detail

CHEMBL2220120

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

Basic Information

ChEMBL ID CHEMBL2220120
Phase Preclinical
Structure Type MOL
InChI Key ORLAOQARBWRWFG-CQSZACIVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

393.4
MW (Da)
1.54
ALogP
7
HBA
2
HBD
106.4
PSA (Ų)
0.65
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 C21H23N5O3
MW 393.45
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.63

Data from ChEMBL 36 via Core Engine