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Compound Detail

CHEMBL4595399

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CCC(=O)N[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4595399
Phase Preclinical
Structure Type MOL
InChI Key BWONFGCYZGIEHF-GFCCVEGCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

305.4
MW (Da)
2.04
ALogP
5
HBA
2
HBD
70.2
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H27N5O
MW 305.43
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.89

Data from ChEMBL 36 via Core Engine