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Compound Detail

CHEMBL4300116

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CC(=N)NCc1cccc(CNC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4300116
Phase Preclinical
Structure Type MOL
InChI Key LJQOXJQTLSALRE-IBGZPJMESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

363.5
MW (Da)
2.44
ALogP
3
HBA
5
HBD
106.8
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N5O
MW 363.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.01

Data from ChEMBL 36 via Core Engine