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Compound Detail

CHEMBL1191460

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COc1ccc(C(=O)N[C@H]2CCCC[C@@]23CCCN3C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1191460
Phase Preclinical
Structure Type MOL
InChI Key GIUMYFRPOGFCAY-FUHWJXTLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

302.4
MW (Da)
2.83
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H26N2O2
MW 302.42
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.04

Data from ChEMBL 36 via Core Engine