EcoDrugPlus


Synonyms	CHIR-258 Chir-258 (hydrate) Dovitinib lactate Dovitinib lactate hydrate Tki258 (hydrate)
Status
Molecule Category	Salt-form
UNII	69VKY8P7EA
Parent Compound:	DOVITINIB

Synonyms

CHIR-258

Chir-258 (hydrate)

Dovitinib lactate

Dovitinib lactate hydrate

Tki258 (hydrate)

Status

Molecule Category

Salt-form

UNII

69VKY8P7EA

Parent Compound:

DOVITINIB


InChI Key	QDPVYZNVVQQULH-UHFFFAOYSA-N
Smiles	CC(O)C(=O)O.CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1.O
InChI	InChI=1S/C21H21FN6O.C3H6O3.H2O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29;1-2(4)3(5)6;/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29);2,4H,1H3,(H,5,6);1H2

InChI Key

QDPVYZNVVQQULH-UHFFFAOYSA-N

Smiles

CC(O)C(=O)O.CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1.O

InChI

InChI=1S/C21H21FN6O.C3H6O3.H2O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29;1-2(4)3(5)6;/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29);2,4H,1H3,(H,5,6);1H2

Property Name	Value
Molecular Formula	C24H29FN6O5
Molecular Weight	500.53
AlogP	2.54
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	94.04
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C24H29FN6O5

Molecular Weight

500.53

AlogP

2.54

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

94.04

Molecular species

NEUTRAL

Aromatic Rings

4.0

Heavy Atoms

29.0

Resources	Reference
ChEMBL	CHEMBL4297063
FDA SRS	69VKY8P7EA
PubChem	135611162
SureChEMBL	SCHEMBL253994

Resources

Reference

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

DOVITINIB LACTATE

Structure

Physicochemical Descriptors

Cross References