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Compound Detail

CHEMBL4302204

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CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](OC(=O)NCCCN)[C@@H](C(=O)O)C[C@H]1NC(=N)N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4302204
Phase Preclinical
Structure Type MOL
InChI Key TUBTYTSYICIZKB-CQJMVSDSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

428.5
MW (Da)
-0.06
ALogP
6
HBA
7
HBD
192.7
PSA (Ų)
0.14
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H36N6O5
MW 428.53
Aromatic Rings 0
Heavy Atoms 30
NP-Likeness 0.47

Data from ChEMBL 36 via Core Engine