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Compound Detail

CHEMBL1194639

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CCCn1c(=O)c2nc(-c3ccc(OCC(=O)NCCNC(=O)C(N)CCCCN)cc3)[nH]c2n(CCC)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194639
Phase Preclinical
Structure Type MOL
InChI Key AFUKOGGTPWMWJR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

556.7
MW (Da)
0.44
ALogP
10
HBA
5
HBD
192.2
PSA (Ų)
0.16
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H40N8O5
MW 556.67
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -0.74

Data from ChEMBL 36 via Core Engine