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Compound Detail

CHEMBL3138929

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COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3138929
Phase Preclinical
Structure Type MOL
InChI Key FZQMRWTUMFXQNY-ROUUACIJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

451.5
MW (Da)
3.40
ALogP
8
HBA
1
HBD
107.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29N5O4
MW 451.53
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.82

Data from ChEMBL 36 via Core Engine