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Compound Detail

CHEMBL1187391

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CC(C)[C@H](N)C(=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
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187391
Phase Preclinical
Structure Type MOL
InChI Key SVMMFLCFDOEXLB-PGKJHWCZSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
1
Publications
0
Known Names

Molecular Properties

770.0
MW (Da)
3.63
ALogP
9
HBA
5
HBD
198.8
PSA (Ų)
0.14
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C43H59N7O6
MW 769.99
Aromatic Rings 3
Heavy Atoms 56
NP-Likeness -0.04

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.7833 hr Rattus norvegicus

Literature References

PubMed DOI Target Context # Activities
28865281 10.1016/j.ejmech.2017.07.044 ADMET 2

Data from ChEMBL 36 via Core Engine