EcoDrugPlus


Synonyms	Alvocidib hydrochloride Flavopiridol hydrochloride HL 275 HMR 1275 L 86 8275 L-86-8275 MDL-107826A
Status
Molecule Category	Salt-form
UNII	D48MS3A6N9
EPA CompTox	DTXSID6048961
Parent Compound:

Synonyms

Alvocidib hydrochloride

Flavopiridol hydrochloride

HL 275

HMR 1275

L 86 8275

L-86-8275

MDL-107826A

Status

Molecule Category

Salt-form

UNII

D48MS3A6N9

EPA CompTox

DTXSID6048961

Parent Compound:


InChI Key	LGMSNQNWOCSPIK-LWHGMNCYSA-N
Smiles	CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1.Cl
InChI	InChI=1S/C21H20ClNO5.ClH/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22;/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3;1H/t12-,17+;/m0./s1

InChI Key

LGMSNQNWOCSPIK-LWHGMNCYSA-N

Smiles

CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1.Cl

InChI

InChI=1S/C21H20ClNO5.ClH/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22;/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3;1H/t12-,17+;/m0./s1

Property Name	Value
Molecular Formula	C21H21Cl2NO5
Molecular Weight	438.31
AlogP	3.3
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	94.14
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C21H21Cl2NO5

Molecular Weight

438.31

AlogP

3.3

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

94.14

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

28.0

Resources	Reference
ChEBI	90998
ChEMBL	CHEMBL2105698
FDA SRS	D48MS3A6N9
PubChem	9910986
SureChEMBL	SCHEMBL1648766

Resources

Reference

ChEBI

ChEMBL

FDA SRS

PubChem

SureChEMBL

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

ALVOCIDIB HYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References