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Compound Detail

CHEMBL1733754

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O=C(Cn1c(=O)c2cccn2c2ccccc21)NCCCN1CCN(Cc2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1733754
Phase Preclinical
Structure Type MOL
InChI Key UKZFMKRKKHNGSN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

457.6
MW (Da)
2.58
ALogP
6
HBA
1
HBD
62.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H31N5O2
MW 457.58
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.57

Data from ChEMBL 36 via Core Engine