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Compound Detail

CHEMBL2078676

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COc1ccc(C(=O)N2CC[C@@H](O)[C@H](N3CCC(C(=O)c4ccc(F)cc4)CC3)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2078676
Phase Preclinical
Structure Type MOL
InChI Key ZFFNTXXPZGMRNK-DHIUTWEWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

440.5
MW (Da)
3.00
ALogP
5
HBA
1
HBD
70.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29FN2O4
MW 440.52
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.78

Data from ChEMBL 36 via Core Engine