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Compound Detail

CHEMBL1189806

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Cc1cc(OCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c(C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189806
Phase Preclinical
Structure Type MOL
InChI Key NBJCNEVQZGIPSG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

444.6
MW (Da)
5.49
ALogP
4
HBA
1
HBD
35.9
PSA (Ų)
0.47
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 C29H36N2O2
MW 444.62
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.67

Data from ChEMBL 36 via Core Engine