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Compound Detail

CHEMBL2079464

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COCCCOc1ccccc1N1CC(C)(C)N(C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)CC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2079464
Phase Preclinical
Structure Type MOL
InChI Key BXCBVLXRDQDAHX-FIXSFTCYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

577.8
MW (Da)
1.51
ALogP
8
HBA
4
HBD
160.4
PSA (Ų)
0.22
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H51N5O6
MW 577.77
Aromatic Rings 1
Heavy Atoms 41
NP-Likeness -0.23

Data from ChEMBL 36 via Core Engine