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Compound Detail

CHEMBL1191079

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C=CCN(C)CC[C@@]12CCCC[C@@H]1C=Cc1ccc(OC)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1191079
Phase Preclinical
Structure Type MOL
InChI Key RLYAHDPESJBVKL-NQIIRXRSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

311.5
MW (Da)
4.66
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H29NO
MW 311.47
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.91

Data from ChEMBL 36 via Core Engine