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Compound Detail

CHEMBL1789831

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N=C(N)[C@@H]1CCCN1C(=O)c1ccc(CCCCCCCCCC2CCCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789831
Phase Preclinical
Structure Type MOL
InChI Key KLATVWDAECBHCJ-VWLOTQADSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

425.7
MW (Da)
6.47
ALogP
2
HBA
2
HBD
70.2
PSA (Ų)
0.23
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H43N3O
MW 425.66
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness -0.30

Data from ChEMBL 36 via Core Engine