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Compound Detail

CHEMBL1196474

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N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O)[C@@H](O)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1196474
Phase Preclinical
Structure Type MOL
InChI Key CFCPTSHVAOVLJR-DGORSVRFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

455.5
MW (Da)
-3.92
ALogP
7
HBA
9
HBD
235.8
PSA (Ų)
0.11
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H29N7O7
MW 455.47
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 1.26

Data from ChEMBL 36 via Core Engine