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Compound Detail

CHEMBL1188839

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COc1ccc(C2(C(=O)OCCCN3CCC(c4ccccc4)CC3)CCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1188839
Phase Preclinical
Structure Type MOL
InChI Key IQBMDOQXYYCXFR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

421.6
MW (Da)
5.32
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.43
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H35NO3
MW 421.58
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.63

Data from ChEMBL 36 via Core Engine