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Compound Detail

CHEMBL4300111

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

Basic Information

ChEMBL ID CHEMBL4300111
Phase Preclinical
Structure Type MOL
InChI Key WSDCLWSDSFASQD-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
-0.02
ALogP
4
HBA
7
HBD
152.9
PSA (Ų)
0.19
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H27N7O
MW 333.44
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.17

Data from ChEMBL 36 via Core Engine