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Compound Detail

CHEMBL2221162

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CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc(O)cc3)CC2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2221162
Phase Preclinical
Structure Type MOL
InChI Key SMPAXQNASQVLJD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

420.6
MW (Da)
4.01
ALogP
5
HBA
2
HBD
70.4
PSA (Ų)
0.61
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 C25H32N4O2
MW 420.56
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.04

Data from ChEMBL 36 via Core Engine