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Compound Detail

CHEMBL1187847

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CN(CCC(=O)N1CCN(c2ccc3nonc3c2)CC1)CCC1c2ccccc2-c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187847
Phase Preclinical
Structure Type MOL
InChI Key VWHKZURJHYEPPX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

481.6
MW (Da)
4.40
ALogP
6
HBA
0
HBD
65.7
PSA (Ų)
0.39
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 C29H31N5O2
MW 481.60
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.21

Data from ChEMBL 36 via Core Engine