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Compound Detail

CHEMBL2079470

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COc1ccc(Cl)c(N2CC(C)(C)N(C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)CC2=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2079470
Phase Preclinical
Structure Type MOL
InChI Key UZWXSJSYTVTQSU-VCOUNFBDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

554.1
MW (Da)
1.75
ALogP
7
HBA
4
HBD
151.2
PSA (Ų)
0.31
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H44ClN5O5
MW 554.13
Aromatic Rings 1
Heavy Atoms 38
NP-Likeness -0.27

Data from ChEMBL 36 via Core Engine