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Compound Detail

CHEMBL1184212

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COc1ccccc1N1CCN(CCCCNC(=O)Cc2ccc3ccccc3c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1184212
Phase Preclinical
Structure Type MOL
InChI Key RGVVYJTVAURUOT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

431.6
MW (Da)
4.11
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H33N3O2
MW 431.58
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.19

Data from ChEMBL 36 via Core Engine