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Compound Detail

CHEMBL1187487

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CC(C)[C@@H](N)C(=O)NCCCCCC(=O)O[C@H](CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1

Basic Information

ChEMBL ID CHEMBL1187487
Phase Preclinical
Structure Type MOL
InChI Key HBSKGNGIBVWSPE-VPIRXGFGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

883.1
MW (Da)
4.30
ALogP
10
HBA
6
HBD
227.9
PSA (Ų)
0.07
QED
2
Ro5 Violations
21
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C49H70N8O7
MW 883.15
Aromatic Rings 3
Heavy Atoms 64
NP-Likeness -0.08

Data from ChEMBL 36 via Core Engine