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Compound Detail

CHEMBL371100

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Cc1cccc2c1OP(=O)(COCCn1cnc3c(N)ncnc31)OC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL371100
Phase Preclinical
Structure Type MOL
InChI Key BVWDWGIOTQCKMK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
6
Publications
0
Known Names

Molecular Properties

375.3
MW (Da)
2.49
ALogP
9
HBA
1
HBD
114.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N5O4P
MW 375.33
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.62

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.6 hr Homo sapiens

Literature References

PubMed DOI Target Context # Activities
16335932 10.1021/jm050641a No relevant target 3
16335932 10.1021/jm050641a CCRF-CEM 2
16335932 10.1021/jm050641a Acetylcholine receptor subunit epsilon 1
16335932 10.1021/jm050641a Cholinesterase 1
16335932 10.1021/jm050641a Human immunodeficiency virus 1 1
16335932 10.1021/jm050641a Human immunodeficiency virus 2 1

Data from ChEMBL 36 via Core Engine